4-methyl-4-(propylcarbamoylamino)pentanoic acid

C10H20N2O3 — CID 62043521

IUPAC4-methyl-4-(propylcarbamoylamino)pentanoic acid
SMILESCCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-7-11-9(15)12-10(2,3)6-5-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyZLRKBSGKDMWBQH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds6

About 4-methyl-4-(propylcarbamoylamino)pentanoic acid

4-methyl-4-(propylcarbamoylamino)pentanoic acid (PubChem CID 62043521) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methyl-4-(propylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(propylcarbamoylamino)pentanoic acid
PubChem CID62043521
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-methyl-4-(propylcarbamoylamino)pentanoic acid
SMILESCCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-7-11-9(15)12-10(2,3)6-5-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyZLRKBSGKDMWBQH-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 62050385
4-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)pentanoic acid
CID 62050392
4-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63832295
4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61186754
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(propylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(propylcarbamoylamino)pentanoic acid (CID 62043521) is 4-methyl-4-(propylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(propylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(propylcarbamoylamino)pentanoic acid is CCCNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(propylcarbamoylamino)pentanoic acid?
The InChIKey is ZLRKBSGKDMWBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-7-11-9(15)12-10(2,3)6-5-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-methyl-4-(propylcarbamoylamino)pentanoic acid?
4-methyl-4-(propylcarbamoylamino)pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(propylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62043521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).