(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide

C14H21N3O4 — CID 87102990

IUPAC(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC[C@H](O)CC(=O)NO
InChIInChI=1S/C14H21N3O4/c15-12(7-6-10-4-2-1-3-5-10)14(20)16-9-11(18)8-13(19)17-21/h1-5,11-12,18,21H,6-9,15H2,(H,16,20)(H,17,19)/t11-,12+/m1/s1
InChIKeyYVZJDOATEIQDGV-NEPJUHHUSA-N
MW295.34 g/mol
LogP-0.68
Rot. Bonds8

About (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide

(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide (PubChem CID 87102990) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide
PubChem CID87102990
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC[C@H](O)CC(=O)NO
InChIInChI=1S/C14H21N3O4/c15-12(7-6-10-4-2-1-3-5-10)14(20)16-9-11(18)8-13(19)17-21/h1-5,11-12,18,21H,6-9,15H2,(H,16,20)(H,17,19)/t11-,12+/m1/s1
InChIKeyYVZJDOATEIQDGV-NEPJUHHUSA-N
XLogP-0.68
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
4-[(2-amino-4-phenylbutanoyl)amino]-3-methylbutanoic acid
CID 114929069
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
CID 104984800
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide (CID 87102990) is (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NC[C@H](O)CC(=O)NO.
What is the InChIKey of (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide?
The InChIKey is YVZJDOATEIQDGV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N3O4/c15-12(7-6-10-4-2-1-3-5-10)14(20)16-9-11(18)8-13(19)17-21/h1-5,11-12,18,21H,6-9,15H2,(H,16,20)(H,17,19)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide?
(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide has a molecular weight of 295.34 g/mol, XLogP of -0.68, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide is sourced from PubChem (CID 87102990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).