2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid

C15H20N2O4 — CID 115965924

IUPAC2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESCC(O)C1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-10(18)12-7-8-17(9-12)15(21)16-13(14(19)20)11-5-3-2-4-6-11/h2-6,10,12-13,18H,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyKUBMVNUDJVJWEF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.22
Rot. Bonds4

About 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid

2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid (PubChem CID 115965924) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
PubChem CID115965924
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESCC(O)C1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-10(18)12-7-8-17(9-12)15(21)16-13(14(19)20)11-5-3-2-4-6-11/h2-6,10,12-13,18H,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyKUBMVNUDJVJWEF-UHFFFAOYSA-N
XLogP1.22
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 104899026
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid (CID 115965924) is 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid is CC(O)C1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is KUBMVNUDJVJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)12-7-8-17(9-12)15(21)16-13(14(19)20)11-5-3-2-4-6-11/h2-6,10,12-13,18H,7-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid?
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 115965924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).