2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid

C15H20N2O3 — CID 43163018

IUPAC2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
SMILESCN(C)c1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20,11-6-7-11)16-13(18)10-4-8-12(9-5-10)17(2)3/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGMJMYYXHHVXLPN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid

2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid (PubChem CID 43163018) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
PubChem CID43163018
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
SMILESCN(C)c1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20,11-6-7-11)16-13(18)10-4-8-12(9-5-10)17(2)3/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGMJMYYXHHVXLPN-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 138999557
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid (CID 43163018) is 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid is CN(C)c1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid?
The InChIKey is GMJMYYXHHVXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(14(19)20,11-6-7-11)16-13(18)10-4-8-12(9-5-10)17(2)3/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid?
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 43163018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).