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

C16H22N2O3 — CID 104901997

IUPAC(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCN1
InChIInChI=1S/C16H22N2O3/c1-2-16(9-6-10-17-16)15(21)18-13(14(19)20)11-12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,18,21)(H,19,20)/t13-,16?/m1/s1
InChIKeyGRMVPWKDHMHYAX-JBZHPUCOSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds6

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

(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 104901997) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID104901997
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCN1
InChIInChI=1S/C16H22N2O3/c1-2-16(9-6-10-17-16)15(21)18-13(14(19)20)11-12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,18,21)(H,19,20)/t13-,16?/m1/s1
InChIKeyGRMVPWKDHMHYAX-JBZHPUCOSA-N
XLogP1.33
TPSA78.43 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 ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoic acid
CID 164674091
(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703
2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 175662616
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid (CID 104901997) is (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid is CCC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is GRMVPWKDHMHYAX-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(9-6-10-17-16)15(21)18-13(14(19)20)11-12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,18,21)(H,19,20)/t13-,16?/m1/s1.
What are the key properties of (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104901997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).