1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

C13H19N3O — CID 36970112

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-9(11-6-7-11)15-13(17)16-10(2)12-5-3-4-8-14-12/h3-5,8-11H,6-7H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1
InChIKeyLCSKDHAOQPQIAV-UWVGGRQHSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 36970112) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID36970112
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-9(11-6-7-11)15-13(17)16-10(2)12-5-3-4-8-14-12/h3-5,8-11H,6-7H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1
InChIKeyLCSKDHAOQPQIAV-UWVGGRQHSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94148998
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 36970112) is 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is LCSKDHAOQPQIAV-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(11-6-7-11)15-13(17)16-10(2)12-5-3-4-8-14-12/h3-5,8-11H,6-7H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 233.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 36970112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).