2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid

C20H31N3O4 — CID 142090596

IUPAC2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
SMILESCCCCC(N)C(CCC)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C20H31N3O4/c1-3-5-12-16(21)15(9-4-2)19(25)22-13-17(24)23-18(20(26)27)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,3-5,9,12-13,21H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDNCPVMFOWKABLK-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.98
Rot. Bonds12

About 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid

2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid (PubChem CID 142090596) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
PubChem CID142090596
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
SMILESCCCCC(N)C(CCC)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C20H31N3O4/c1-3-5-12-16(21)15(9-4-2)19(25)22-13-17(24)23-18(20(26)27)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,3-5,9,12-13,21H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDNCPVMFOWKABLK-UHFFFAOYSA-N
XLogP1.98
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
CID 70315122
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
CID 159999863
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
CID 142110705
[(3S)-1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamic acid
CID 68554414

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid (CID 142090596) is 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid is CCCCC(N)C(CCC)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid?
The InChIKey is DNCPVMFOWKABLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-3-5-12-16(21)15(9-4-2)19(25)22-13-17(24)23-18(20(26)27)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,3-5,9,12-13,21H2,1-2H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid?
2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid has a molecular weight of 377.49 g/mol, XLogP of 1.98, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 142090596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).