(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid

C14H15N3O3 — CID 146264225

IUPAC(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-7(14(19)20)15-13(18)9-6-8(9)12-16-10-4-2-3-5-11(10)17-12/h2-5,7-9H,6H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8?,9?/m1/s1
InChIKeyFRPSNLLWZSHHAL-AFPNSQJFSA-N
MW273.29 g/mol
LogP1.26
Rot. Bonds4

About (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid

(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 146264225) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID146264225
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-7(14(19)20)15-13(18)9-6-8(9)12-16-10-4-2-3-5-11(10)17-12/h2-5,7-9H,6H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8?,9?/m1/s1
InChIKeyFRPSNLLWZSHHAL-AFPNSQJFSA-N
XLogP1.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-quinolin-2-ylethyl)cyclopropane-1-carboxamide
CID 135377878
4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid
CID 146264259
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]cyclopropane-1-carboxamide
CID 151009764
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-[(5-bromopyrazin-2-yl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 150401895
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
CID 163500131
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(R)-cyclohexyl-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 158755686
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(5-cyano-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378118
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377370
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(morpholine-4-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377406
2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 138455687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid (CID 146264225) is (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid is C[C@@H](NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is FRPSNLLWZSHHAL-AFPNSQJFSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7(14(19)20)15-13(18)9-6-8(9)12-16-10-4-2-3-5-11(10)17-12/h2-5,7-9H,6H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid?
(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 146264225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).