(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid

C11H20N2O5 — CID 91214674

IUPAC(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
SMILESCC(C)COC(=O)[C@H](CCC(=O)O)NC(=O)CN
InChIInChI=1S/C11H20N2O5/c1-7(2)6-18-11(17)8(3-4-10(15)16)13-9(14)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyHZGNPWSLMPVJTB-QMMMGPOBSA-N
MW260.29 g/mol
LogP-0.51
Rot. Bonds8

About (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid

(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid (PubChem CID 91214674) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
PubChem CID91214674
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
SMILESCC(C)COC(=O)[C@H](CCC(=O)O)NC(=O)CN
InChIInChI=1S/C11H20N2O5/c1-7(2)6-18-11(17)8(3-4-10(15)16)13-9(14)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyHZGNPWSLMPVJTB-QMMMGPOBSA-N
XLogP-0.51
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
CID 61143698
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 18486141
(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
CID 18647841
(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 46832258
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 18490747
(4S)-4-[(4-benzhydrylbenzoyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
CID 143710212
4-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 18488799
2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
CID 18486803
2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18486799
2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18486039
4-[(2-aminoacetyl)amino]-5-[[3-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18486813

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid (CID 91214674) is (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid is CC(C)COC(=O)[C@H](CCC(=O)O)NC(=O)CN.
What is the InChIKey of (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid?
The InChIKey is HZGNPWSLMPVJTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(2)6-18-11(17)8(3-4-10(15)16)13-9(14)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid?
(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 91214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).