2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide

C11H23N3O3S — CID 115703675

IUPAC2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
SMILESCCC(O)CCNC(=O)C(CCSC)NC(N)=O
InChIInChI=1S/C11H23N3O3S/c1-3-8(15)4-6-13-10(16)9(5-7-18-2)14-11(12)17/h8-9,15H,3-7H2,1-2H3,(H,13,16)(H3,12,14,17)
InChIKeyMJIBCYHJHPAWMK-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.05
Rot. Bonds9

About 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide (PubChem CID 115703675) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
PubChem CID115703675
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
SMILESCCC(O)CCNC(=O)C(CCSC)NC(N)=O
InChIInChI=1S/C11H23N3O3S/c1-3-8(15)4-6-13-10(16)9(5-7-18-2)14-11(12)17/h8-9,15H,3-7H2,1-2H3,(H,13,16)(H3,12,14,17)
InChIKeyMJIBCYHJHPAWMK-UHFFFAOYSA-N
XLogP0.05
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
CID 82683429
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
4-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CID 43171450
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
1-[[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445072
1-[[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432877
2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546065
2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55802358
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
(2R)-5-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 107829909

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide (CID 115703675) is 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide is CCC(O)CCNC(=O)C(CCSC)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide?
The InChIKey is MJIBCYHJHPAWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-3-8(15)4-6-13-10(16)9(5-7-18-2)14-11(12)17/h8-9,15H,3-7H2,1-2H3,(H,13,16)(H3,12,14,17).
What are the key properties of 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide has a molecular weight of 277.39 g/mol, XLogP of 0.05, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 115703675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).