4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid

C14H28N2O3 — CID 55259595

IUPAC4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-11(7-2)10(3)15-13(19)16-14(4,5)9-8-12(17)18/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyWNPLNJATCVTSAX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.75
Rot. Bonds8

About 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid

4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 55259595) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid
PubChem CID55259595
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-11(7-2)10(3)15-13(19)16-14(4,5)9-8-12(17)18/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyWNPLNJATCVTSAX-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid (CID 55259595) is 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid is CCC(CC)C(C)NC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is WNPLNJATCVTSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-11(7-2)10(3)15-13(19)16-14(4,5)9-8-12(17)18/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid?
4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 55259595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).