methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate

C12H14ClNO2 — CID 75443074

IUPACmethyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
SMILESCOC(=O)CNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-11(15)8-14-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3
InChIKeyUPDMCZWTYVGGHR-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate

methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate (PubChem CID 75443074) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
PubChem CID75443074
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namemethyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
SMILESCOC(=O)CNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-11(15)8-14-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3
InChIKeyUPDMCZWTYVGGHR-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid
CID 155146217
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
2-amino-N-[1-(3-chlorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110451706
N-[1-(3-chlorophenyl)cyclopentyl]-2-(methylcarbamoylamino)acetamide
CID 75393371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate (CID 75443074) is methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate is COC(=O)CNC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate?
The InChIKey is UPDMCZWTYVGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-11(15)8-14-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate?
methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate has a molecular weight of 239.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate is sourced from PubChem (CID 75443074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).