2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid

C17H17NO3 — CID 43341305

IUPAC2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cccc2ccccc12)(C(=O)O)C1CC1
InChIInChI=1S/C17H17NO3/c1-17(16(20)21,12-9-10-12)18-15(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyXGMGDYXYAIIYMR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid

2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid (PubChem CID 43341305) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
PubChem CID43341305
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cccc2ccccc12)(C(=O)O)C1CC1
InChIInChI=1S/C17H17NO3/c1-17(16(20)21,12-9-10-12)18-15(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyXGMGDYXYAIIYMR-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
CID 113352876
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547660
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-2-(4-methylcyclohexyl)propanoic acid;hydrochloride
CID 69433167
(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
CID 93298046
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938
2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 43341261
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid (CID 43341305) is 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid is CC(NC(=O)c1cccc2ccccc12)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid?
The InChIKey is XGMGDYXYAIIYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(16(20)21,12-9-10-12)18-15(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid?
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 43341305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).