2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid

C14H23NO3 — CID 43209835

IUPAC2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-3-8(2)12(14(17)18)15-13(16)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPDIAZJWETSIUPB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds5

About 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid (PubChem CID 43209835) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
PubChem CID43209835
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-3-8(2)12(14(17)18)15-13(16)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPDIAZJWETSIUPB-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic 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-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65191228
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
(2S,3S)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylpentanoic acid
CID 106703216
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573

Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid (CID 43209835) is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)C1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid?
The InChIKey is PDIAZJWETSIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-8(2)12(14(17)18)15-13(16)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid?
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 43209835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).