2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid

C15H21ClN2O2 — CID 61001788

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCNC(C(=O)O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)10-9-17-15(14(19)20,11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyADVWHZJISBFKCT-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.18
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid

2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid (PubChem CID 61001788) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
PubChem CID61001788
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCNC(C(=O)O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)10-9-17-15(14(19)20,11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyADVWHZJISBFKCT-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(4-Chlorophenyl)-2-(methylamino)acetic acid
CID 10856486
2-{[(Tert-butoxy)carbonyl]amino}-2-(4-chlorophenyl)propanoic acid
CID 64146070
(4-Chlorophenyl){[4-(1-piperidinyl)butanoyl]amino}acetic acid
CID 72902856
Brl 26314
CID 133237
Ethyl (4-chlorophenyl)(piperazin-1-yl)acetate
CID 16227100
Ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
CID 54918501
2-(4-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243941
Chloroethylaminophenylbutyric acid
CID 129675282
alpha-(4-Chlorophenyl)-d-proline
CID 141351291
(S)-2-((tert-butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid
CID 167311450
N-(4-chlorobenzyl)phenylalanine
CID 10039824

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid (CID 61001788) is 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid is CN(C)CCNC(C(=O)O)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The InChIKey is ADVWHZJISBFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18(2)10-9-17-15(14(19)20,11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid?
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid has a molecular weight of 296.80 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid is sourced from PubChem (CID 61001788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).