1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea

C18H23N3O3 — CID 124733513

IUPAC1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C18H23N3O3/c22-10-15-11-1-2-12(9-11)17(15)20-18(24)19-13-3-5-14(6-4-13)21-8-7-16(21)23/h3-6,11-12,15,17,22H,1-2,7-10H2,(H2,19,20,24)/t11-,12-,15-,17-/m0/s1
InChIKeyLGZQNNOMNSQIAP-HJXMPXNTSA-N
MW329.40 g/mol
LogP1.95
Rot. Bonds4

About 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea

1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea (PubChem CID 124733513) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
PubChem CID124733513
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C18H23N3O3/c22-10-15-11-1-2-12(9-11)17(15)20-18(24)19-13-3-5-14(6-4-13)21-8-7-16(21)23/h3-6,11-12,15,17,22H,1-2,7-10H2,(H2,19,20,24)/t11-,12-,15-,17-/m0/s1
InChIKeyLGZQNNOMNSQIAP-HJXMPXNTSA-N
XLogP1.95
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092580
1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
CID 128625442
1-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-thiophen-2-ylurea
CID 100893010
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97443663
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[3-[(1R)-1-methoxyethyl]phenyl]urea
CID 124733086
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 136515061
2-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclobutane-1,2-dicarboxamide
CID 167890277
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea (CID 124733513) is 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO.
What is the InChIKey of 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The InChIKey is LGZQNNOMNSQIAP-HJXMPXNTSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-10-15-11-1-2-12(9-11)17(15)20-18(24)19-13-3-5-14(6-4-13)21-8-7-16(21)23/h3-6,11-12,15,17,22H,1-2,7-10H2,(H2,19,20,24)/t11-,12-,15-,17-/m0/s1.
What are the key properties of 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea has a molecular weight of 329.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea is sourced from PubChem (CID 124733513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).