(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide

C26H41N7O4 — CID 130335892

IUPAC(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
SMILESNCC[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H41N7O4/c27-11-8-21(26(37)33-14-9-20(10-15-33)32-12-4-5-13-32)30-24(35)18-29-25(36)22(31-23(34)17-28)16-19-6-2-1-3-7-19/h1-3,6-7,20-22H,4-5,8-18,27-28H2,(H,29,36)(H,30,35)(H,31,34)/t21-,22-/m1/s1
InChIKeyMOVHVBROVVKOPG-FGZHOGPDSA-N
MW515.66 g/mol
LogP-1.29
Rot. Bonds12

About (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide

(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 130335892) has the molecular formula C26H41N7O4 and a molecular weight of 515.66 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
PubChem CID130335892
Molecular FormulaC26H41N7O4
Molecular Weight515.66 g/mol
Exact Mass515.32
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
SMILESNCC[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H41N7O4/c27-11-8-21(26(37)33-14-9-20(10-15-33)32-12-4-5-13-32)30-24(35)18-29-25(36)22(31-23(34)17-28)16-19-6-2-1-3-7-19/h1-3,6-7,20-22H,4-5,8-18,27-28H2,(H,29,36)(H,30,35)(H,31,34)/t21-,22-/m1/s1
InChIKeyMOVHVBROVVKOPG-FGZHOGPDSA-N
XLogP-1.29
TPSA162.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide with MolForge

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Related Compounds

(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 130335620
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]pentanedioic acid
CID 18490001
2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 10268658
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
4-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 18489964
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
CID 70060885
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
(4R)-6-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methyl-5-oxohexanoic acid
CID 178064914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide (CID 130335892) is (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide is NCC[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN)C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is MOVHVBROVVKOPG-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H41N7O4/c27-11-8-21(26(37)33-14-9-20(10-15-33)32-12-4-5-13-32)30-24(35)18-29-25(36)22(31-23(34)17-28)16-19-6-2-1-3-7-19/h1-3,6-7,20-22H,4-5,8-18,27-28H2,(H,29,36)(H,30,35)(H,31,34)/t21-,22-/m1/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide?
(2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 515.66 g/mol, XLogP of -1.29, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-N-[2-[[(2R)-4-amino-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 130335892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).