methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate

C14H18ClNO2 — CID 113369502

IUPACmethyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate
SMILESCOC(=O)C(N[C@@H](C)c1ccccc1Cl)C1CC1
InChIInChI=1S/C14H18ClNO2/c1-9(11-5-3-4-6-12(11)15)16-13(10-7-8-10)14(17)18-2/h3-6,9-10,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1
InChIKeyHPGWGUJVMVAVEM-LLTODGECSA-N
MW267.76 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate

methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate (PubChem CID 113369502) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate
PubChem CID113369502
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate
SMILESCOC(=O)C(N[C@@H](C)c1ccccc1Cl)C1CC1
InChIInChI=1S/C14H18ClNO2/c1-9(11-5-3-4-6-12(11)15)16-13(10-7-8-10)14(17)18-2/h3-6,9-10,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1
InChIKeyHPGWGUJVMVAVEM-LLTODGECSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate?
The IUPAC name of methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate (CID 113369502) is methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate?
The canonical SMILES for methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate is COC(=O)C(N[C@@H](C)c1ccccc1Cl)C1CC1.
What is the InChIKey of methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate?
The InChIKey is HPGWGUJVMVAVEM-LLTODGECSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(11-5-3-4-6-12(11)15)16-13(10-7-8-10)14(17)18-2/h3-6,9-10,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate?
methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate has a molecular weight of 267.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate is sourced from PubChem (CID 113369502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).