azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid

C11H16ClNO2 — CID 70402898

IUPACazane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccc(Cl)cc1.N
InChIInChI=1S/C11H13ClO2.H3N/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8;/h3-7,10H,1-2H3,(H,13,14);1H3/t10-;/m1./s1
InChIKeyNEVLNCWTZCAVSX-HNCPQSOCSA-N
MW229.71 g/mol
LogP3.33
Rot. Bonds3

About azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid

azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid (PubChem CID 70402898) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Nameazane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
PubChem CID70402898
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Nameazane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccc(Cl)cc1.N
InChIInChI=1S/C11H13ClO2.H3N/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8;/h3-7,10H,1-2H3,(H,13,14);1H3/t10-;/m1./s1
InChIKeyNEVLNCWTZCAVSX-HNCPQSOCSA-N
XLogP3.33
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
2-(4-chlorophenyl)-4-iodo-3-methylbutanoic acid
CID 175517588
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 43238753
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468

Frequently Asked Questions

What is the IUPAC name of azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid?
The IUPAC name of azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid (CID 70402898) is azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid?
The canonical SMILES for azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid is CC(C)[C@@H](C(=O)O)c1ccc(Cl)cc1.N.
What is the InChIKey of azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid?
The InChIKey is NEVLNCWTZCAVSX-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13ClO2.H3N/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8;/h3-7,10H,1-2H3,(H,13,14);1H3/t10-;/m1./s1.
What are the key properties of azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid?
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid has a molecular weight of 229.71 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 70402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).