1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

C10H19N3O3S — CID 27459491

IUPAC1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESC[C@@H](O)CC(=O)NNC(=S)NC[C@H]1CCCO1
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-9(15)12-13-10(17)11-6-8-3-2-4-16-8/h7-8,14H,2-6H2,1H3,(H,12,15)(H2,11,13,17)/t7-,8-/m1/s1
InChIKeyOTYKUJLDKOCEQL-HTQZYQBOSA-N
MW261.35 g/mol
LogP-0.57
Rot. Bonds4

About 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea (PubChem CID 27459491) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
PubChem CID27459491
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESC[C@@H](O)CC(=O)NNC(=S)NC[C@H]1CCCO1
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-9(15)12-13-10(17)11-6-8-3-2-4-16-8/h7-8,14H,2-6H2,1H3,(H,12,15)(H2,11,13,17)/t7-,8-/m1/s1
InChIKeyOTYKUJLDKOCEQL-HTQZYQBOSA-N
XLogP-0.57
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 27459483
methyl N-(oxolan-2-ylmethylcarbamothioylamino)carbamate
CID 17373236
1-[(2-hydroxy-2-methylpropanoyl)amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40645880
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40666280
1-[[(2R)-oxolan-2-yl]methyl]-3-[(2-phenylacetyl)amino]thiourea
CID 27038823
1-(decanoylamino)-3-(oxolan-2-ylmethyl)thiourea
CID 17373451
1-(3-cyclohexylpropanoylamino)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40632908
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
CID 19176066
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
1-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637211
1-[[2-(4-methylanilino)acetyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8617768

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea (CID 27459491) is 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea is C[C@@H](O)CC(=O)NNC(=S)NC[C@H]1CCCO1.
What is the InChIKey of 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The InChIKey is OTYKUJLDKOCEQL-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(14)5-9(15)12-13-10(17)11-6-8-3-2-4-16-8/h7-8,14H,2-6H2,1H3,(H,12,15)(H2,11,13,17)/t7-,8-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea has a molecular weight of 261.35 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 27459491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).