3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid

C16H22N2O3 — CID 64679597

IUPAC3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-4-5-9-16)11-14(19)18-13(10-15(20)21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,19)(H,20,21)
InChIKeyXLNAITOESGKLRM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds6

About 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid

3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 64679597) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID64679597
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-4-5-9-16)11-14(19)18-13(10-15(20)21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,19)(H,20,21)
InChIKeyXLNAITOESGKLRM-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid (CID 64679597) is 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid is NC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCCC1.
What is the InChIKey of 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is XLNAITOESGKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(8-4-5-9-16)11-14(19)18-13(10-15(20)21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 64679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).