methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate

C16H20ClNO2 — CID 61001353

IUPACmethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
SMILESCOC(=O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H20ClNO2/c1-20-15(19)16(12-4-5-12,18-10-11-2-3-11)13-6-8-14(17)9-7-13/h6-9,11-12,18H,2-5,10H2,1H3
InChIKeyWIPYYZPGMMVWPO-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.12
Rot. Bonds6

About methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate

methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate (PubChem CID 61001353) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
PubChem CID61001353
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Namemethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
SMILESCOC(=O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H20ClNO2/c1-20-15(19)16(12-4-5-12,18-10-11-2-3-11)13-6-8-14(17)9-7-13/h6-9,11-12,18H,2-5,10H2,1H3
InChIKeyWIPYYZPGMMVWPO-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
CID 60874252
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
methyl 2-(cyclopropylmethylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 61002805
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
methyl 2-(cyclopropylmethylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 61001613
methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
CID 105490299

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate (CID 61001353) is methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate is COC(=O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate?
The InChIKey is WIPYYZPGMMVWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-20-15(19)16(12-4-5-12,18-10-11-2-3-11)13-6-8-14(17)9-7-13/h6-9,11-12,18H,2-5,10H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate?
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate has a molecular weight of 293.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate is sourced from PubChem (CID 61001353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).