1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea

C13H24N2O2 — CID 97321327

IUPAC1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea
SMILESC[C@@H](CC1CC1)NC(=O)N[C@@](C)(CO)C1CC1
InChIInChI=1S/C13H24N2O2/c1-9(7-10-3-4-10)14-12(17)15-13(2,8-16)11-5-6-11/h9-11,16H,3-8H2,1-2H3,(H2,14,15,17)/t9-,13-/m0/s1
InChIKeyRQNICYWMEJQLLF-ZANVPECISA-N
MW240.35 g/mol
LogP1.64
Rot. Bonds6

About 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea

1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea (PubChem CID 97321327) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea
PubChem CID97321327
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea
SMILESC[C@@H](CC1CC1)NC(=O)N[C@@](C)(CO)C1CC1
InChIInChI=1S/C13H24N2O2/c1-9(7-10-3-4-10)14-12(17)15-13(2,8-16)11-5-6-11/h9-11,16H,3-8H2,1-2H3,(H2,14,15,17)/t9-,13-/m0/s1
InChIKeyRQNICYWMEJQLLF-ZANVPECISA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-hydroxy-2-methylpropanamide
CID 103430059
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71969083
3-[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]butanamide
CID 115927783
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(3S)-3-methylsulfanylbutyl]urea
CID 97321317
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(3R)-3-methylsulfanylbutyl]urea
CID 97321320
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(1R)-2-methylsulfanyl-1-phenylethyl]urea
CID 97321334
2-(1-cyclopentylpropan-2-ylamino)-2-methylpropan-1-ol
CID 115927491
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
CID 63994028
N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
CID 107030339
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea (CID 97321327) is 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea is C[C@@H](CC1CC1)NC(=O)N[C@@](C)(CO)C1CC1.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea?
The InChIKey is RQNICYWMEJQLLF-ZANVPECISA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(7-10-3-4-10)14-12(17)15-13(2,8-16)11-5-6-11/h9-11,16H,3-8H2,1-2H3,(H2,14,15,17)/t9-,13-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea?
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea has a molecular weight of 240.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(2S)-1-cyclopropylpropan-2-yl]urea is sourced from PubChem (CID 97321327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).