2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide

C10H21N3O3 — CID 104981125

IUPAC2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
SMILESCC[C@@H](CO)NC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-7(5-14)12-9(15)8(6(2)3)13-10(11)16/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t7-,8?/m0/s1
InChIKeyFYDJNMZTQHUPQW-JAMMHHFISA-N
MW231.30 g/mol
LogP-0.43
Rot. Bonds6

About 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide

2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide (PubChem CID 104981125) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
PubChem CID104981125
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
SMILESCC[C@@H](CO)NC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-7(5-14)12-9(15)8(6(2)3)13-10(11)16/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t7-,8?/m0/s1
InChIKeyFYDJNMZTQHUPQW-JAMMHHFISA-N
XLogP-0.43
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide 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

2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 43357852
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide (CID 104981125) is 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide is CC[C@@H](CO)NC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide?
The InChIKey is FYDJNMZTQHUPQW-JAMMHHFISA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-7(5-14)12-9(15)8(6(2)3)13-10(11)16/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t7-,8?/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide?
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 104981125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).