(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide

C18H21N3O2 — CID 59697173

IUPAC(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide
SMILESNC[C@H](NCc1ccc(/C=C/c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O2/c19-12-17(18(22)21-23)20-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,17,20,23H,12-13,19H2,(H,21,22)/b7-6+/t17-/m0/s1
InChIKeyIKVFIRLWULZJEF-LXXRFIIISA-N
MW311.38 g/mol
LogP1.78
Rot. Bonds7

About (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide

(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide (PubChem CID 59697173) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide
PubChem CID59697173
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide
SMILESNC[C@H](NCc1ccc(/C=C/c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O2/c19-12-17(18(22)21-23)20-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,17,20,23H,12-13,19H2,(H,21,22)/b7-6+/t17-/m0/s1
InChIKeyIKVFIRLWULZJEF-LXXRFIIISA-N
XLogP1.78
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-amino-N-hydroxy-2-[(4-phenylphenyl)methylamino]propanamide
CID 59697068
tert-butyl-[(2S)-3-(hydroxyamino)-3-oxo-2-[[4-(2-phenylethenyl)phenyl]methylamino]propyl]carbamic acid
CID 173064439
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988
(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
CID 87749363
(E)-2-(benzylamino)-4-phenylbut-3-enoic acid
CID 20656167
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
propanedioate;(E)-stilbene
CID 19773481
(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)methylamino]butanamide;hydroxylamine;methane;methyl (2S,3R)-3-hydroxy-2-[(4-phenylphenyl)methylamino]butanoate;4-phenylbenzaldehyde;hydrochloride
CID 158451181
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-(benzylamino)butanamide
CID 131998527
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide
CID 88984760

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide (CID 59697173) is (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide is NC[C@H](NCc1ccc(/C=C/c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide?
The InChIKey is IKVFIRLWULZJEF-LXXRFIIISA-N. The full InChI is InChI=1S/C18H21N3O2/c19-12-17(18(22)21-23)20-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,17,20,23H,12-13,19H2,(H,21,22)/b7-6+/t17-/m0/s1.
What are the key properties of (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide?
(2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide has a molecular weight of 311.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-hydroxy-2-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]propanamide is sourced from PubChem (CID 59697173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).