cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid

C17H23NO4 — CID 120690555

IUPACcis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-15(11-5-8-14(22-2)9-6-11)16(19)18-13-7-4-12(10-13)17(20)21/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,15?/m1/s1
InChIKeyGGSLHKJZVHWTKD-NEJHNUGDSA-N
MW305.37 g/mol
LogP2.56
Rot. Bonds6

About cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120690555) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120690555
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namecis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-15(11-5-8-14(22-2)9-6-11)16(19)18-13-7-4-12(10-13)17(20)21/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,15?/m1/s1
InChIKeyGGSLHKJZVHWTKD-NEJHNUGDSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
CID 120684614
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid (CID 120690555) is cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid is CCC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OC)cc1.
What is the InChIKey of cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GGSLHKJZVHWTKD-NEJHNUGDSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-15(11-5-8-14(22-2)9-6-11)16(19)18-13-7-4-12(10-13)17(20)21/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,15?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120690555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).