[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid

C14H18N2O5 — CID 22610283

IUPAC[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C(=O)N1CCC(O)C1O
InChIInChI=1S/C14H18N2O5/c17-11-6-7-16(13(11)19)12(18)10(15-14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11,13,15,17,19H,6-8H2,(H,20,21)
InChIKeyYASKOKBYUSDHPB-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.22
Rot. Bonds4

About [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid

[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 22610283) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID22610283
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C(=O)N1CCC(O)C1O
InChIInChI=1S/C14H18N2O5/c17-11-6-7-16(13(11)19)12(18)10(15-14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11,13,15,17,19H,6-8H2,(H,20,21)
InChIKeyYASKOKBYUSDHPB-UHFFFAOYSA-N
XLogP-0.22
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(2-phenylpiperidin-1-yl)propan-2-yl]benzamide
CID 155011720
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
(2S)-2-amino-N-[(2S)-1-[(2R)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 90969126
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 59791716
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 10809527
(2R)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 145455469
benzyl N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 59188244

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 22610283) is [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid is O=C(O)NC(Cc1ccccc1)C(=O)N1CCC(O)C1O.
What is the InChIKey of [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is YASKOKBYUSDHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11-6-7-16(13(11)19)12(18)10(15-14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11,13,15,17,19H,6-8H2,(H,20,21).
What are the key properties of [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 294.31 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 22610283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).