(2S)-2-amino-N-(2-bromophenyl)propanamide

C9H11BrN2O — CID 22690580

IUPAC(2S)-2-amino-N-(2-bromophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyOUCKZCVLWMYYJR-LURJTMIESA-N
MW243.10 g/mol
LogP1.73
Rot. Bonds2

About (2S)-2-amino-N-(2-bromophenyl)propanamide

(2S)-2-amino-N-(2-bromophenyl)propanamide (PubChem CID 22690580) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromophenyl)propanamide
PubChem CID22690580
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(2S)-2-amino-N-(2-bromophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyOUCKZCVLWMYYJR-LURJTMIESA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromophenyl)butanamide
CID 43649425
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
4-[[(2S)-2-aminopropanoyl]amino]-3-bromobenzoic acid
CID 78992135

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromophenyl)propanamide (CID 22690580) is (2S)-2-amino-N-(2-bromophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromophenyl)propanamide is C[C@H](N)C(=O)Nc1ccccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromophenyl)propanamide?
The InChIKey is OUCKZCVLWMYYJR-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromophenyl)propanamide?
(2S)-2-amino-N-(2-bromophenyl)propanamide has a molecular weight of 243.10 g/mol, XLogP of 1.73, 2 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-bromophenyl)propanamide is sourced from PubChem (CID 22690580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).