(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide

C15H21N3O3 — CID 162695553

IUPAC(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
SMILESNC(C[C@@H]1CCNC1=O)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c16-12(8-11-6-7-17-14(11)20)13(19)15(21)18-9-10-4-2-1-3-5-10/h1-5,11-13,19H,6-9,16H2,(H,17,20)(H,18,21)/t11-,12?,13-/m0/s1
InChIKeyJXXHUKBPZRDDMB-RXTYADHFSA-N
MW291.35 g/mol
LogP-0.48
Rot. Bonds6

About (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide

(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide (PubChem CID 162695553) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
PubChem CID162695553
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
SMILESNC(C[C@@H]1CCNC1=O)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c16-12(8-11-6-7-17-14(11)20)13(19)15(21)18-9-10-4-2-1-3-5-10/h1-5,11-13,19H,6-9,16H2,(H,17,20)(H,18,21)/t11-,12?,13-/m0/s1
InChIKeyJXXHUKBPZRDDMB-RXTYADHFSA-N
XLogP-0.48
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropylpyrrolidine-2-carboxamide
CID 162695747
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
benzyl (E,4S)-4-amino-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 170051086
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 169081468
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
2-[1-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]benzoic acid
CID 175424458
(3S)-N-benzyl-3-[[(2S)-3-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 155515803
(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175915034

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide (CID 162695553) is (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide is NC(C[C@@H]1CCNC1=O)[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide?
The InChIKey is JXXHUKBPZRDDMB-RXTYADHFSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12(8-11-6-7-17-14(11)20)13(19)15(21)18-9-10-4-2-1-3-5-10/h1-5,11-13,19H,6-9,16H2,(H,17,20)(H,18,21)/t11-,12?,13-/m0/s1.
What are the key properties of (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide?
(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide has a molecular weight of 291.35 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 162695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).