(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate

C12H14ClNO2 — CID 62697560

IUPAC(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
SMILESNC(C(=O)OCc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)7-16-12(15)11(14)8-5-6-8/h1-4,8,11H,5-7,14H2
InChIKeyYHRWEBRDHAHVHV-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.12
Rot. Bonds4

About (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate

(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate (PubChem CID 62697560) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
PubChem CID62697560
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
SMILESNC(C(=O)OCc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)7-16-12(15)11(14)8-5-6-8/h1-4,8,11H,5-7,14H2
InChIKeyYHRWEBRDHAHVHV-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774129
(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
CID 107825335
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
4-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 67384206
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
CID 120788842
(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525379
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
CID 165351367
6-amino-7-[(2-chlorophenyl)methoxy]-7-oxoheptanoic acid
CID 57274050
2-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropylacetic acid
CID 103288004
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
CID 174832128

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate?
The IUPAC name of (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate (CID 62697560) is (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate is NC(C(=O)OCc1ccccc1Cl)C1CC1.
What is the InChIKey of (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate?
The InChIKey is YHRWEBRDHAHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)7-16-12(15)11(14)8-5-6-8/h1-4,8,11H,5-7,14H2.
What are the key properties of (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate?
(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate has a molecular weight of 239.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate is sourced from PubChem (CID 62697560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).