azane;methyl (2R)-2-chloro-3-phenylpropanoate

C10H14ClNO2 — CID 135340026

IUPACazane;methyl (2R)-2-chloro-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cl)Cc1ccccc1.N
InChIInChI=1S/C10H11ClO2.H3N/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3/t9-;/m1./s1
InChIKeyKKKSMNXRKIBBSO-SBSPUUFOSA-N
MW215.68 g/mol
LogP2.17
Rot. Bonds3

About azane;methyl (2R)-2-chloro-3-phenylpropanoate

azane;methyl (2R)-2-chloro-3-phenylpropanoate (PubChem CID 135340026) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is azane;methyl (2R)-2-chloro-3-phenylpropanoate.

Molecular Properties

Compound Nameazane;methyl (2R)-2-chloro-3-phenylpropanoate
PubChem CID135340026
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Nameazane;methyl (2R)-2-chloro-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cl)Cc1ccccc1.N
InChIInChI=1S/C10H11ClO2.H3N/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3/t9-;/m1./s1
InChIKeyKKKSMNXRKIBBSO-SBSPUUFOSA-N
XLogP2.17
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-(4-ethylphenyl)propanoate
CID 79021615
methyl 3-(4-bromophenyl)-2-chloropropanoate
CID 79021438
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
methyl 2-chloro-3-(4-propylphenyl)propanoate
CID 83194984
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
methyl 2-benzyl-5-chloro-3-oxopentanoate
CID 100965612
methyl (2R)-2-chloro-3-(dibenzylamino)propanoate
CID 11709488
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387

Frequently Asked Questions

What is the IUPAC name of azane;methyl (2R)-2-chloro-3-phenylpropanoate?
The IUPAC name of azane;methyl (2R)-2-chloro-3-phenylpropanoate (CID 135340026) is azane;methyl (2R)-2-chloro-3-phenylpropanoate.
What is the SMILES notation for azane;methyl (2R)-2-chloro-3-phenylpropanoate?
The canonical SMILES for azane;methyl (2R)-2-chloro-3-phenylpropanoate is COC(=O)[C@H](Cl)Cc1ccccc1.N.
What is the InChIKey of azane;methyl (2R)-2-chloro-3-phenylpropanoate?
The InChIKey is KKKSMNXRKIBBSO-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11ClO2.H3N/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3/t9-;/m1./s1.
What are the key properties of azane;methyl (2R)-2-chloro-3-phenylpropanoate?
azane;methyl (2R)-2-chloro-3-phenylpropanoate has a molecular weight of 215.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl (2R)-2-chloro-3-phenylpropanoate is sourced from PubChem (CID 135340026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).