2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid

C15H23N3O3 — CID 106760369

IUPAC2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Nc1ccccc1N(C)C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-10(2)13(14(19)20)17-15(21)16-11-8-6-7-9-12(11)18(3)4/h6-10,13H,5H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyHSJXRWLSLUWBDR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.37
Rot. Bonds6

About 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid

2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid (PubChem CID 106760369) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
PubChem CID106760369
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Nc1ccccc1N(C)C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-10(2)13(14(19)20)17-15(21)16-11-8-6-7-9-12(11)18(3)4/h6-10,13H,5H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyHSJXRWLSLUWBDR-UHFFFAOYSA-N
XLogP2.37
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 79043662
(2S,3S)-3-methyl-2-[(2,4,5-trichlorophenyl)carbamoylamino]pentanoic acid
CID 61181915
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111113058
3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoic acid
CID 4517788
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid (CID 106760369) is 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)Nc1ccccc1N(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid?
The InChIKey is HSJXRWLSLUWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-10(2)13(14(19)20)17-15(21)16-11-8-6-7-9-12(11)18(3)4/h6-10,13H,5H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid?
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 106760369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).