(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide

C12H17BrN2O2 — CID 113264050

IUPAC(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyQWWQFLKBRYKARB-SNVBAGLBSA-N
MW301.18 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide

(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide (PubChem CID 113264050) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
PubChem CID113264050
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyQWWQFLKBRYKARB-SNVBAGLBSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
3-[[(2R)-2-aminopentanoyl]amino]-4-bromobenzoic acid
CID 114003951
4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
CID 80545007
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide (CID 113264050) is (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide is CCC[C@@H](N)C(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide?
The InChIKey is QWWQFLKBRYKARB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide?
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide has a molecular weight of 301.18 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide is sourced from PubChem (CID 113264050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).