2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide

C11H23N3O5 — CID 107847321

IUPAC2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H23N3O5/c1-7(2)3-8(13-10(12)19)9(18)14-11(4-15,5-16)6-17/h7-8,15-17H,3-6H2,1-2H3,(H,14,18)(H3,12,13,19)
InChIKeyCITCOWWXFOYZCW-UHFFFAOYSA-N
MW277.32 g/mol
LogP-2.10
Rot. Bonds8

About 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide

2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide (PubChem CID 107847321) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
PubChem CID107847321
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Name2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H23N3O5/c1-7(2)3-8(13-10(12)19)9(18)14-11(4-15,5-16)6-17/h7-8,15-17H,3-6H2,1-2H3,(H,14,18)(H3,12,13,19)
InChIKeyCITCOWWXFOYZCW-UHFFFAOYSA-N
XLogP-2.10
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.32
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 43500738
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
CID 114152761
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide (CID 107847321) is 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The InChIKey is CITCOWWXFOYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5/c1-7(2)3-8(13-10(12)19)9(18)14-11(4-15,5-16)6-17/h7-8,15-17H,3-6H2,1-2H3,(H,14,18)(H3,12,13,19).
What are the key properties of 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide has a molecular weight of 277.32 g/mol, XLogP of -2.10, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 107847321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).