2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid

C15H18ClNO3 — CID 43630613

IUPAC2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-2-3-12(13(18)19)17-14(20)15(8-9-15)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWFIIGCFWFHYENZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.74
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid

2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid (PubChem CID 43630613) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
PubChem CID43630613
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-2-3-12(13(18)19)17-14(20)15(8-9-15)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWFIIGCFWFHYENZ-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152848
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
(2R)-2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104906047
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid (CID 43630613) is 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid is CCCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The InChIKey is WFIIGCFWFHYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-3-12(13(18)19)17-14(20)15(8-9-15)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 43630613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).