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

C14H23NO3 — CID 113440573

IUPAC5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-9(14(17)18)3-2-6-15-13(16)12-8-10-4-5-11(12)7-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUGQJTNBJYLHANC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds6

About 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid

5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid (PubChem CID 113440573) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
PubChem CID113440573
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-9(14(17)18)3-2-6-15-13(16)12-8-10-4-5-11(12)7-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUGQJTNBJYLHANC-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124

Frequently Asked Questions

What is the IUPAC name of 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid (CID 113440573) is 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid is CC(CCCNC(=O)C1CC2CCC1C2)C(=O)O.
What is the InChIKey of 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid?
The InChIKey is UGQJTNBJYLHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(14(17)18)3-2-6-15-13(16)12-8-10-4-5-11(12)7-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid?
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid is sourced from PubChem (CID 113440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).