1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea

C11H23N3O3 — CID 75536720

IUPAC1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1OC[C@@H](N(C)C)[C@@H]1O
InChIInChI=1S/C11H23N3O3/c1-7(2)13-11(16)12-5-9-10(15)8(6-17-9)14(3)4/h7-10,15H,5-6H2,1-4H3,(H2,12,13,16)/t8-,9-,10+/m1/s1
InChIKeySTMMDDMZSVEHLW-BBBLOLIVSA-N
MW245.32 g/mol
LogP-0.62
Rot. Bonds4

About 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea

1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea (PubChem CID 75536720) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
PubChem CID75536720
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1OC[C@@H](N(C)C)[C@@H]1O
InChIInChI=1S/C11H23N3O3/c1-7(2)13-11(16)12-5-9-10(15)8(6-17-9)14(3)4/h7-10,15H,5-6H2,1-4H3,(H2,12,13,16)/t8-,9-,10+/m1/s1
InChIKeySTMMDDMZSVEHLW-BBBLOLIVSA-N
XLogP-0.62
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

Iminocyclitol, 2
CID 68720017
Iminocyclitol, 4
CID 72699266
(2S,3R,4R)-4-amino-2-(diethylaminomethyl)oxolan-3-ol
CID 125416320
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75367055
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75367058
1-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75367100
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75367102
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75367103
N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75536496
1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536725
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536743
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536746

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea (CID 75536720) is 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NC[C@H]1OC[C@@H](N(C)C)[C@@H]1O.
What is the InChIKey of 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea?
The InChIKey is STMMDDMZSVEHLW-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-7(2)13-11(16)12-5-9-10(15)8(6-17-9)14(3)4/h7-10,15H,5-6H2,1-4H3,(H2,12,13,16)/t8-,9-,10+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea?
1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea has a molecular weight of 245.32 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 75536720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).