3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid

C16H22N2O3 — CID 64567098

IUPAC3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
SMILESNC(=O)CN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O3/c17-15(19)11-18(13-8-4-5-9-13)10-14(16(20)21)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H2,17,19)(H,20,21)
InChIKeyHOFPRRKFTMTVOU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds7

About 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid

3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid (PubChem CID 64567098) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
PubChem CID64567098
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
SMILESNC(=O)CN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O3/c17-15(19)11-18(13-8-4-5-9-13)10-14(16(20)21)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H2,17,19)(H,20,21)
InChIKeyHOFPRRKFTMTVOU-UHFFFAOYSA-N
XLogP1.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid (CID 64567098) is 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid is NC(=O)CN(CC(C(=O)O)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid?
The InChIKey is HOFPRRKFTMTVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-15(19)11-18(13-8-4-5-9-13)10-14(16(20)21)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H2,17,19)(H,20,21).
What are the key properties of 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid?
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 64567098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).