2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid

C15H22N2O2 — CID 65058019

IUPAC2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
SMILESCC(c1ccc(N(C)C)cc1)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H22N2O2/c1-11(17(10-15(18)19)14-8-9-14)12-4-6-13(7-5-12)16(2)3/h4-7,11,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyKQCXPQMERQTGKO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.36
Rot. Bonds6

About 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid

2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid (PubChem CID 65058019) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
PubChem CID65058019
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
SMILESCC(c1ccc(N(C)C)cc1)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H22N2O2/c1-11(17(10-15(18)19)14-8-9-14)12-4-6-13(7-5-12)16(2)3/h4-7,11,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyKQCXPQMERQTGKO-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
2-[1-[4-(dimethylamino)phenyl]ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263704
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
CID 96555431
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
CID 113389381
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid (CID 65058019) is 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid is CC(c1ccc(N(C)C)cc1)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid?
The InChIKey is KQCXPQMERQTGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(17(10-15(18)19)14-8-9-14)12-4-6-13(7-5-12)16(2)3/h4-7,11,14H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid?
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid is sourced from PubChem (CID 65058019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).