2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide

C11H23N3O3 — CID 113498876

IUPAC2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
SMILESCC[C@H](CO)NC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C11H23N3O3/c1-4-8(6-15)13-10(16)9(5-7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17)/t8-,9?/m1/s1
InChIKeyMYQPSQRHHZPPCR-VEDVMXKPSA-N
MW245.32 g/mol
LogP-0.04
Rot. Bonds7

About 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide

2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide (PubChem CID 113498876) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
PubChem CID113498876
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
SMILESCC[C@H](CO)NC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C11H23N3O3/c1-4-8(6-15)13-10(16)9(5-7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17)/t8-,9?/m1/s1
InChIKeyMYQPSQRHHZPPCR-VEDVMXKPSA-N
XLogP-0.04
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 43500738

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide (CID 113498876) is 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide is CC[C@H](CO)NC(=O)C(CC(C)C)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide?
The InChIKey is MYQPSQRHHZPPCR-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-8(6-15)13-10(16)9(5-7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17)/t8-,9?/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide?
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide has a molecular weight of 245.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 113498876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).