3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid

C15H20N2O3 — CID 63142311

IUPAC3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC1(C(=O)NCC(C(=O)O)c2ccccc2)CCNC1
InChIInChI=1S/C15H20N2O3/c1-15(7-8-16-10-15)14(20)17-9-12(13(18)19)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeySXVRSHAFJRPEKL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.97
Rot. Bonds5

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

3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 63142311) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID63142311
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC1(C(=O)NCC(C(=O)O)c2ccccc2)CCNC1
InChIInChI=1S/C15H20N2O3/c1-15(7-8-16-10-15)14(20)17-9-12(13(18)19)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeySXVRSHAFJRPEKL-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
CID 106175529
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid (CID 63142311) is 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid is CC1(C(=O)NCC(C(=O)O)c2ccccc2)CCNC1.
What is the InChIKey of 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is SXVRSHAFJRPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(7-8-16-10-15)14(20)17-9-12(13(18)19)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid?
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).