4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid

C15H26N2O3 — CID 64896788

IUPAC4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
SMILESCC1(C)C2CCC1(C)C(NC(=O)C(N)CCC(=O)O)C2
InChIInChI=1S/C15H26N2O3/c1-14(2)9-6-7-15(14,3)11(8-9)17-13(20)10(16)4-5-12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIUFRZXNAZYBROT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.51
Rot. Bonds5

About 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid

4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid (PubChem CID 64896788) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
PubChem CID64896788
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
SMILESCC1(C)C2CCC1(C)C(NC(=O)C(N)CCC(=O)O)C2
InChIInChI=1S/C15H26N2O3/c1-14(2)9-6-7-15(14,3)11(8-9)17-13(20)10(16)4-5-12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIUFRZXNAZYBROT-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic 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

2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 62474098
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
(2S)-2-hydroxy-4-methylsulfanyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 86579518
3-methyl-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 62963837
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345179
(2R)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827047
(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827045
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid (CID 64896788) is 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid is CC1(C)C2CCC1(C)C(NC(=O)C(N)CCC(=O)O)C2.
What is the InChIKey of 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid?
The InChIKey is IUFRZXNAZYBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)9-6-7-15(14,3)11(8-9)17-13(20)10(16)4-5-12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid?
4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid is sourced from PubChem (CID 64896788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).