2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid

C15H24N4O7 — CID 163056089

IUPAC2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid
SMILESCC(=O)NCC(C)C(N)C(=O)NC(C(=O)O)C(O)C1CN2C(=O)CC2O1
InChIInChI=1S/C15H24N4O7/c1-6(4-17-7(2)20)11(16)14(23)18-12(15(24)25)13(22)8-5-19-9(21)3-10(19)26-8/h6,8,10-13,22H,3-5,16H2,1-2H3,(H,17,20)(H,18,23)(H,24,25)
InChIKeyVXEIXZSLBQUUHO-UHFFFAOYSA-N
MW372.38 g/mol
LogP-3.03
Rot. Bonds8

About 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid

2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid (PubChem CID 163056089) has the molecular formula C15H24N4O7 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid
PubChem CID163056089
Molecular FormulaC15H24N4O7
Molecular Weight372.38 g/mol
Exact Mass372.16
IUPAC Name2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid
SMILESCC(=O)NCC(C)C(N)C(=O)NC(C(=O)O)C(O)C1CN2C(=O)CC2O1
InChIInChI=1S/C15H24N4O7/c1-6(4-17-7(2)20)11(16)14(23)18-12(15(24)25)13(22)8-5-19-9(21)3-10(19)26-8/h6,8,10-13,22H,3-5,16H2,1-2H3,(H,17,20)(H,18,23)(H,24,25)
InChIKeyVXEIXZSLBQUUHO-UHFFFAOYSA-N
XLogP-3.03
TPSA171.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic 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

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 70345044
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate;hydrochloride
CID 70345043
2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
CID 19602462
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
CID 70346789
CID 131866551
CID 131866551
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 22702457
2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxybutanoic acid
CID 18500620
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
2-[[4-amino-2-[(2-amino-3-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid
CID 18221654
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 11352962

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid?
The IUPAC name of 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid (CID 163056089) is 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid.
What is the SMILES notation for 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid?
The canonical SMILES for 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid is CC(=O)NCC(C)C(N)C(=O)NC(C(=O)O)C(O)C1CN2C(=O)CC2O1.
What is the InChIKey of 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid?
The InChIKey is VXEIXZSLBQUUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O7/c1-6(4-17-7(2)20)11(16)14(23)18-12(15(24)25)13(22)8-5-19-9(21)3-10(19)26-8/h6,8,10-13,22H,3-5,16H2,1-2H3,(H,17,20)(H,18,23)(H,24,25).
What are the key properties of 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid?
2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid has a molecular weight of 372.38 g/mol, XLogP of -3.03, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-2-amino-3-methylbutanoyl)amino]-3-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid is sourced from PubChem (CID 163056089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).