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

C17H22N2O4 — CID 120678404

IUPACcis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H22N2O4/c20-15(19-14-7-6-13(11-14)17(22)23)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m1/s1
InChIKeyFYAVNKCBWFIZSH-KGLIPLIRSA-N
MW318.37 g/mol
LogP1.10
Rot. Bonds7

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

cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678404) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678404
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namecis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H22N2O4/c20-15(19-14-7-6-13(11-14)17(22)23)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m1/s1
InChIKeyFYAVNKCBWFIZSH-KGLIPLIRSA-N
XLogP1.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676768
cis-(1R,3S)-3-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320189
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (CID 120678404) is cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is O=C(Cc1ccccc1)NCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FYAVNKCBWFIZSH-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(19-14-7-6-13(11-14)17(22)23)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).