(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid

C14H23NO3 — CID 103926722

IUPAC(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1C2CCCCC21)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2,3)11(13(17)18)15-12(16)10-8-6-4-5-7-9(8)10/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10?,11-/m0/s1
InChIKeyTVIGDMMKCCKKRH-QUBJWBRDSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds3

About (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid

(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid (PubChem CID 103926722) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
PubChem CID103926722
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1C2CCCCC21)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2,3)11(13(17)18)15-12(16)10-8-6-4-5-7-9(8)10/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10?,11-/m0/s1
InChIKeyTVIGDMMKCCKKRH-QUBJWBRDSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
CID 145466520
3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
3,3-dimethyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104621955
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
2-(cyclohex-3-ene-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467873
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
CID 103926983
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 103927215
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 106703269
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid (CID 103926722) is (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)C1C2CCCCC21)C(=O)O.
What is the InChIKey of (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is TVIGDMMKCCKKRH-QUBJWBRDSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)11(13(17)18)15-12(16)10-8-6-4-5-7-9(8)10/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid?
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).