2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid

C14H19N3O3 — CID 106760371

IUPAC2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
SMILESCN(C)c1ccccc1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-17(2)11-6-4-3-5-10(11)15-14(20)16-12(13(18)19)9-7-8-9/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyBLPCMCXTATYOCC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.74
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid

2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid (PubChem CID 106760371) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
PubChem CID106760371
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
SMILESCN(C)c1ccccc1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-17(2)11-6-4-3-5-10(11)15-14(20)16-12(13(18)19)9-7-8-9/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyBLPCMCXTATYOCC-UHFFFAOYSA-N
XLogP1.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid
CID 945244
(R)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
CID 946613
(S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-3-methyl-pentanoic acid
CID 16681779
(S)-2-[3-(4-Ethyl-phenyl)-ureido]-3-methyl-pentanoic acid
CID 16682293
N-(phenylcarbamothioyl)valine
CID 3724093
2-((Phenylcarbamoyl)amino)propanoic acid
CID 3854733
N-{[3-(trifluoromethyl)phenyl]carbamoyl}-L-leucine
CID 663892
(2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 664730
N-[(2-fluorophenyl)carbamoyl]-L-valine
CID 946864
(R)-1-((S)-2-((S)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-4-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 16406685
(R)-2-[3-(4-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
CID 942494
(S)-2-[3-(4-Butyl-phenyl)-ureido]-4-methyl-pentanoic acid
CID 2018324

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid (CID 106760371) is 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid is CN(C)c1ccccc1NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid?
The InChIKey is BLPCMCXTATYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17(2)11-6-4-3-5-10(11)15-14(20)16-12(13(18)19)9-7-8-9/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid?
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid is sourced from PubChem (CID 106760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).