2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide

C9H19N3O3S — CID 79027563

IUPAC2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H19N3O3S/c1-6(5-13)11-8(14)7(3-4-16-2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15)/t6-,7?/m1/s1
InChIKeyDKIOZYVMZSYCBR-ULUSZKPHSA-N
MW249.34 g/mol
LogP-0.73
Rot. Bonds7

About 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide (PubChem CID 79027563) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
PubChem CID79027563
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H19N3O3S/c1-6(5-13)11-8(14)7(3-4-16-2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15)/t6-,7?/m1/s1
InChIKeyDKIOZYVMZSYCBR-ULUSZKPHSA-N
XLogP-0.73
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
4-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CID 43171450
2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid
CID 62697660
(2R)-5-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 107829909
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784
2-bromo-N-[1-(1-hydroxypropan-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 78857059
2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18218474
2-(carbamoylamino)-4-methylsulfanyl-N-(1-thiophen-2-ylethyl)butanamide
CID 47098781
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
CID 115703675
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
CID 82683429

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide (CID 79027563) is 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)N[C@H](C)CO.
What is the InChIKey of 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is DKIOZYVMZSYCBR-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-6(5-13)11-8(14)7(3-4-16-2)12-9(10)15/h6-7,13H,3-5H2,1-2H3,(H,11,14)(H3,10,12,15)/t6-,7?/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 249.34 g/mol, XLogP of -0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 79027563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).