2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid

C17H26N2O2 — CID 122039894

IUPAC2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
SMILESCCCC(NC1CCN(C(C)c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-3-7-16(17(20)21)18-15-10-11-19(12-15)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16,18H,3,7,10-12H2,1-2H3,(H,20,21)
InChIKeyBQKXMYFRBBNDCC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds7

About 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid

2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid (PubChem CID 122039894) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
PubChem CID122039894
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
SMILESCCCC(NC1CCN(C(C)c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-3-7-16(17(20)21)18-15-10-11-19(12-15)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16,18H,3,7,10-12H2,1-2H3,(H,20,21)
InChIKeyBQKXMYFRBBNDCC-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid with MolForge

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Related Compounds

N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
CID 65055653
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid (CID 122039894) is 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid is CCCC(NC1CCN(C(C)c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid?
The InChIKey is BQKXMYFRBBNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-7-16(17(20)21)18-15-10-11-19(12-15)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16,18H,3,7,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid?
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid is sourced from PubChem (CID 122039894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).