2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide

C9H19N3O3 — CID 66106637

IUPAC2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)C(C)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-6(3-4-13)5-11-8(14)7(2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15)
InChIKeyJELKCTSXJLPDOE-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.82
Rot. Bonds6

About 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide

2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66106637) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66106637
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)C(C)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-6(3-4-13)5-11-8(14)7(2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15)
InChIKeyJELKCTSXJLPDOE-UHFFFAOYSA-N
XLogP-0.82
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243847
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66106637) is 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide is CC(CCO)CNC(=O)C(C)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is JELKCTSXJLPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(3-4-13)5-11-8(14)7(2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15).
What are the key properties of 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide?
2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66106637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).