(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide

C12H17BrN2O — CID 81359924

IUPAC(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-4-6-10(13)7-5-9/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11+/m0/s1
InChIKeyCHSDQIKROKDXCA-GZMMTYOYSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds4

About (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide

(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide (PubChem CID 81359924) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
PubChem CID81359924
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-4-6-10(13)7-5-9/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11+/m0/s1
InChIKeyCHSDQIKROKDXCA-GZMMTYOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide (CID 81359924) is (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide is CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide?
The InChIKey is CHSDQIKROKDXCA-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-4-6-10(13)7-5-9/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide?
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide is sourced from PubChem (CID 81359924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).