(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride

C11H16BrClN2O — CID 119279834

IUPAC(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-2-10(13)11(15)14-7-8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyUSMNFEMXXLTWKF-PPHPATTJSA-N
MW307.62 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride (PubChem CID 119279834) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
PubChem CID119279834
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-2-10(13)11(15)14-7-8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyUSMNFEMXXLTWKF-PPHPATTJSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
(2S)-2-amino-N-[(5-bromothiophen-3-yl)methyl]butanamide;hydrochloride
CID 119294090
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride (CID 119279834) is (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCc1cccc(Br)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride?
The InChIKey is USMNFEMXXLTWKF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-2-10(13)11(15)14-7-8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119279834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).