5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

C12H24N2O4 — CID 82013804

IUPAC5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H24N2O4/c1-9(5-6-10(15)16)7-13-11(17)14(4)8-12(2,3)18/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPASNQLSZUNOWDT-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.90
Rot. Bonds7

About 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 82013804) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID82013804
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H24N2O4/c1-9(5-6-10(15)16)7-13-11(17)14(4)8-12(2,3)18/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPASNQLSZUNOWDT-UHFFFAOYSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
CID 79379882
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107201655
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
5-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82013488
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 82013804) is 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is PASNQLSZUNOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(5-6-10(15)16)7-13-11(17)14(4)8-12(2,3)18/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82013804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).