2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid

C15H18ClNO2 — CID 61002443

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO2/c16-13-7-5-12(6-8-13)15(14(18)19,11-3-4-11)17-9-10-1-2-10/h5-8,10-11,17H,1-4,9H2,(H,18,19)
InChIKeyDAWCOQQSUVJBQW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.03
Rot. Bonds6

About 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid

2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid (PubChem CID 61002443) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
PubChem CID61002443
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO2/c16-13-7-5-12(6-8-13)15(14(18)19,11-3-4-11)17-9-10-1-2-10/h5-8,10-11,17H,1-4,9H2,(H,18,19)
InChIKeyDAWCOQQSUVJBQW-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
CID 60874252
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide
CID 60997584
3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62396854
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid (CID 61002443) is 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid is O=C(O)C(NCC1CC1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid?
The InChIKey is DAWCOQQSUVJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-13-7-5-12(6-8-13)15(14(18)19,11-3-4-11)17-9-10-1-2-10/h5-8,10-11,17H,1-4,9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid?
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid has a molecular weight of 279.77 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid is sourced from PubChem (CID 61002443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).