1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea

C7H16N2O2 — CID 79023677

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](C)CO
InChIInChI=1S/C7H16N2O2/c1-5(2)8-7(11)9-6(3)4-10/h5-6,10H,4H2,1-3H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyQANWUFRNBXFOML-LURJTMIESA-N
MW160.22 g/mol
LogP0.07
Rot. Bonds3

About 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea

1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea (PubChem CID 79023677) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
PubChem CID79023677
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](C)CO
InChIInChI=1S/C7H16N2O2/c1-5(2)8-7(11)9-6(3)4-10/h5-6,10H,4H2,1-3H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyQANWUFRNBXFOML-LURJTMIESA-N
XLogP0.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2S)-1-hydroxypropan-2-yl]carbamic acid
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1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
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1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
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CID 71899821
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
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2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
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CID 130441437

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea (CID 79023677) is 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H](C)CO.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea?
The InChIKey is QANWUFRNBXFOML-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)8-7(11)9-6(3)4-10/h5-6,10H,4H2,1-3H3,(H2,8,9,11)/t6-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea?
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea has a molecular weight of 160.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 79023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).