2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid

C17H21NO3 — CID 75483394

IUPAC2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C17H21NO3/c1-10-5-3-4-6-12(10)13-9-14(13)15(19)18-17(2,16(20)21)11-7-8-11/h3-6,11,13-14H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQHSRDGPOUSUIOH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 75483394) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID75483394
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C17H21NO3/c1-10-5-3-4-6-12(10)13-9-14(13)15(19)18-17(2,16(20)21)11-7-8-11/h3-6,11,13-14H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQHSRDGPOUSUIOH-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,2S)-1-(((tert-butoxy)carbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid
CID 2734148
(2S)-2-[[(2S,3R)-2,3-dimethylpentanoyl]amino]-3-phenylpropanoic acid
CID 44317282
1-[(2,3-dihydro-1H-inden-1-ylacetyl)amino]cyclopentanecarboxylic acid
CID 72909130
2-Methyl-N-(2-phenylacetyl)alanine
CID 12973815
1-((tert-Butoxycarbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid
CID 5064040
1-[[2-(3,5-Dicyclopropyl-4-ethynylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 176491863
(2S,3S)-2-methyl-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid
CID 11748612
(2S,3R)-2-methyl-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid
CID 134919043
N-(7-methyl)octanoyl phenylalanine
CID 170989333
2-Benzyl-7-oxoazepane-2-carboxylic acid
CID 86820443
(1R,2R)-N-Boc-1-amino-2-phenylcyclopropanecarboxylic acid
CID 2734147
(1S,2R)-N-Boc-1-amino-2-phenylcyclopropanecarboxylic acid
CID 7009512

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 75483394) is 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid is Cc1ccccc1C1CC1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is QHSRDGPOUSUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-5-3-4-6-12(10)13-9-14(13)15(19)18-17(2,16(20)21)11-7-8-11/h3-6,11,13-14H,7-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 75483394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).