4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid

C14H19N3O4 — CID 119357561

IUPAC4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H19N3O4/c1-14(2,7-6-11(18)19)17-12(20)9-4-3-5-10(8-9)16-13(15)21/h3-5,8H,6-7H2,1-2H3,(H,17,20)(H,18,19)(H3,15,16,21)
InChIKeyUFTGBGBHGKYIMA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.55
Rot. Bonds6

About 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid

4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119357561) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119357561
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H19N3O4/c1-14(2,7-6-11(18)19)17-12(20)9-4-3-5-10(8-9)16-13(15)21/h3-5,8H,6-7H2,1-2H3,(H,17,20)(H,18,19)(H3,15,16,21)
InChIKeyUFTGBGBHGKYIMA-UHFFFAOYSA-N
XLogP1.55
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
4-methyl-4-[(3-nitrobenzoyl)amino]pentanoic acid
CID 62043921
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
3-[3-[[3-(tert-butylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076648
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
CID 74241550

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid (CID 119357561) is 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is UFTGBGBHGKYIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,7-6-11(18)19)17-12(20)9-4-3-5-10(8-9)16-13(15)21/h3-5,8H,6-7H2,1-2H3,(H,17,20)(H,18,19)(H3,15,16,21).
What are the key properties of 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid?
4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).