2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide

C9H19N3O4 — CID 65312871

IUPAC2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC(CO)CO
InChIInChI=1S/C9H19N3O4/c1-5(2)7(12-9(10)16)8(15)11-6(3-13)4-14/h5-7,13-14H,3-4H2,1-2H3,(H,11,15)(H3,10,12,16)
InChIKeyRQVSNIAPYSQNAF-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.85
Rot. Bonds6

About 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide

2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide (PubChem CID 65312871) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
PubChem CID65312871
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC(CO)CO
InChIInChI=1S/C9H19N3O4/c1-5(2)7(12-9(10)16)8(15)11-6(3-13)4-14/h5-7,13-14H,3-4H2,1-2H3,(H,11,15)(H3,10,12,16)
InChIKeyRQVSNIAPYSQNAF-UHFFFAOYSA-N
XLogP-1.85
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 43357852
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
(2R)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906157
(2S)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 61153726
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18224171
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82781084

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide (CID 65312871) is 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)NC(CO)CO.
What is the InChIKey of 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide?
The InChIKey is RQVSNIAPYSQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-5(2)7(12-9(10)16)8(15)11-6(3-13)4-14/h5-7,13-14H,3-4H2,1-2H3,(H,11,15)(H3,10,12,16).
What are the key properties of 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide?
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide has a molecular weight of 233.27 g/mol, XLogP of -1.85, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 65312871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).