4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid

C10H19N3O5 — CID 83204394

IUPAC4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCOC(N)=O
InChIInChI=1S/C10H19N3O5/c1-10(2,4-3-7(14)15)13-9(17)12-5-6-18-8(11)16/h3-6H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17)
InChIKeyWFFWUXSGMCCOPF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.02
Rot. Bonds7

About 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid

4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 83204394) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID83204394
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NCCOC(N)=O
InChIInChI=1S/C10H19N3O5/c1-10(2,4-3-7(14)15)13-9(17)12-5-6-18-8(11)16/h3-6H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17)
InChIKeyWFFWUXSGMCCOPF-UHFFFAOYSA-N
XLogP0.02
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63832295
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
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-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid (CID 83204394) is 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)NCCOC(N)=O.
What is the InChIKey of 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is WFFWUXSGMCCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-10(2,4-3-7(14)15)13-9(17)12-5-6-18-8(11)16/h3-6H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17).
What are the key properties of 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid?
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 83204394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).