cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid

C15H19NO3 — CID 120690493

IUPACcis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10(11-5-3-2-4-6-11)14(17)16-13-8-7-12(9-13)15(18)19/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m0/s1
InChIKeyMUGAXCAKQYFGOG-WCFLWFBJSA-N
MW261.32 g/mol
LogP2.16
Rot. Bonds4

About cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120690493) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120690493
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namecis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10(11-5-3-2-4-6-11)14(17)16-13-8-7-12(9-13)15(18)19/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m0/s1
InChIKeyMUGAXCAKQYFGOG-WCFLWFBJSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
cis-(1S,3R)-3-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674933
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
cis-(1S,3R)-3-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674947
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 120690493) is cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid is C[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MUGAXCAKQYFGOG-WCFLWFBJSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(11-5-3-2-4-6-11)14(17)16-13-8-7-12(9-13)15(18)19/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120690493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).