2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid

C10H19N3O5 — CID 83203760

IUPAC2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NCCOC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-6(2)7(8(14)15)13-10(17)12-4-5-18-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17)
InChIKeyUXEYQWNSUTXEQH-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.12
Rot. Bonds7

About 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid

2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid (PubChem CID 83203760) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid
PubChem CID83203760
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NCCOC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-6(2)7(8(14)15)13-10(17)12-4-5-18-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17)
InChIKeyUXEYQWNSUTXEQH-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
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

(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-methylpentanoic acid
CID 83112549
(2S)-2-(2-carbamoyloxyethylcarbamoylamino)butanoic acid
CID 83205276
(2S,3S)-3-methyl-2-[2-(2-methylpropoxy)ethylcarbamoylamino]pentanoic acid
CID 113363354
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63834246
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63833005
(2S,3S)-3-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 40654470
(2S,3S)-2-(3-carboxypropylcarbamoylamino)-3-methylpentanoic acid
CID 146684677
2-(heptylcarbamoylamino)-3-methylpentanoic acid
CID 3390588
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
CID 83204397

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid (CID 83203760) is 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)NCCOC(N)=O)C(=O)O.
What is the InChIKey of 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid?
The InChIKey is UXEYQWNSUTXEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-6(2)7(8(14)15)13-10(17)12-4-5-18-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16)(H,14,15)(H2,12,13,17).
What are the key properties of 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid?
2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid is sourced from PubChem (CID 83203760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).