3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

C16H22N2O3 — CID 62878683

IUPAC3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCCC1CCCN1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-9-6-10-18(13)16(21)17-11-14(15(19)20)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNHSFUUWYOWBTDV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds5

About 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62878683) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62878683
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCCC1CCCN1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-9-6-10-18(13)16(21)17-11-14(15(19)20)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNHSFUUWYOWBTDV-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
CID 86886423
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (CID 62878683) is 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is CCC1CCCN1C(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is NHSFUUWYOWBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-9-6-10-18(13)16(21)17-11-14(15(19)20)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62878683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).