1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea

C16H19N3O2 — CID 124523480

IUPAC1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
SMILESO=C(NC[C@@]1(O)CCNC1)Nc1cccc2ccccc12
InChIInChI=1S/C16H19N3O2/c20-15(18-11-16(21)8-9-17-10-16)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,17,21H,8-11H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyJSRGSWLXBLTFAC-MRXNPFEDSA-N
MW285.35 g/mol
LogP1.69
Rot. Bonds3

About 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea

1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea (PubChem CID 124523480) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
PubChem CID124523480
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
SMILESO=C(NC[C@@]1(O)CCNC1)Nc1cccc2ccccc12
InChIInChI=1S/C16H19N3O2/c20-15(18-11-16(21)8-9-17-10-16)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,17,21H,8-11H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyJSRGSWLXBLTFAC-MRXNPFEDSA-N
XLogP1.69
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(2,4,5-trifluorophenyl)urea;hydrochloride
CID 154903222
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 126447498
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea (CID 124523480) is 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea is O=C(NC[C@@]1(O)CCNC1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea?
The InChIKey is JSRGSWLXBLTFAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(18-11-16(21)8-9-17-10-16)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,17,21H,8-11H2,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea?
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea has a molecular weight of 285.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 124523480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).