(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide

C13H17ClN2O — CID 104984800

IUPAC(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
SMILESC=C(Cl)CNC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C13H17ClN2O/c1-10(14)9-16-13(17)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,1,7-9,15H2,(H,16,17)/t12-/m0/s1
InChIKeyNRPPPCYBUQUKRH-LBPRGKRZSA-N
MW252.75 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide

(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide (PubChem CID 104984800) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
PubChem CID104984800
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
SMILESC=C(Cl)CNC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C13H17ClN2O/c1-10(14)9-16-13(17)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,1,7-9,15H2,(H,16,17)/t12-/m0/s1
InChIKeyNRPPPCYBUQUKRH-LBPRGKRZSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
[2-[[(2S)-2-amino-4-phenylbutanoyl]amino]acetyl] benzoate
CID 131713750
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
(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-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide (CID 104984800) is (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide is C=C(Cl)CNC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide?
The InChIKey is NRPPPCYBUQUKRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10(14)9-16-13(17)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,1,7-9,15H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide has a molecular weight of 252.75 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide is sourced from PubChem (CID 104984800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).