1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid

C14H25N3O4 — CID 43358918

IUPAC1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25N3O4/c1-3-9(2)10(16-13(15)21)11(18)17-14(12(19)20)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H3,15,16,21)
InChIKeyCFRWDJCCUSVFKK-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.97
Rot. Bonds6

About 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43358918) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43358918
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25N3O4/c1-3-9(2)10(16-13(15)21)11(18)17-14(12(19)20)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H3,15,16,21)
InChIKeyCFRWDJCCUSVFKK-UHFFFAOYSA-N
XLogP0.97
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 81158683
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (CID 43358918) is 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is CCC(C)C(NC(N)=O)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CFRWDJCCUSVFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-9(2)10(16-13(15)21)11(18)17-14(12(19)20)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H3,15,16,21).
What are the key properties of 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).