cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate

C12H14ClNO2 — CID 107315707

IUPACcyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate
SMILESN[C@@H](C(=O)OCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(14)12(15)16-7-8-5-6-8/h1-4,8,11H,5-7,14H2/t11-/m1/s1
InChIKeyJXWJETZMDULYOI-LLVKDONJSA-N
MW239.70 g/mol
LogP2.29
Rot. Bonds4

About cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate

cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate (PubChem CID 107315707) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Namecyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate
PubChem CID107315707
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namecyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate
SMILESN[C@@H](C(=O)OCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(14)12(15)16-7-8-5-6-8/h1-4,8,11H,5-7,14H2/t11-/m1/s1
InChIKeyJXWJETZMDULYOI-LLVKDONJSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
CID 141274241
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
3-(cyclopropylmethoxy)-3-oxo-2-phenylpropanoic acid
CID 129239144
tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate
CID 69309645
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
2-amino-2-(2-chlorophenyl)acetohydrazide;hydrochloride
CID 170913938
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate?
The IUPAC name of cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate (CID 107315707) is cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate.
What is the SMILES notation for cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate?
The canonical SMILES for cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate is N[C@@H](C(=O)OCC1CC1)c1ccccc1Cl.
What is the InChIKey of cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate?
The InChIKey is JXWJETZMDULYOI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(14)12(15)16-7-8-5-6-8/h1-4,8,11H,5-7,14H2/t11-/m1/s1.
What are the key properties of cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate?
cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate has a molecular weight of 239.70 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate is sourced from PubChem (CID 107315707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).