[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

C12H22N4O2 — CID 100805855

IUPAC[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(N)=O)[C@@H]2NC(N)=O
InChIInChI=1S/C12H22N4O2/c1-11(2)6-4-5-12(11,3)8(16-10(14)18)7(6)15-9(13)17/h6-8H,4-5H2,1-3H3,(H3,13,15,17)(H3,14,16,18)/t6-,7+,8-,12-/m0/s1
InChIKeyGDRJLMMDAIYYRU-MEUQOTJWSA-N
MW254.33 g/mol
LogP0.52
Rot. Bonds2

About [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (PubChem CID 100805855) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.

Molecular Properties

Compound Name[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
PubChem CID100805855
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(N)=O)[C@@H]2NC(N)=O
InChIInChI=1S/C12H22N4O2/c1-11(2)6-4-5-12(11,3)8(16-10(14)18)7(6)15-9(13)17/h6-8H,4-5H2,1-3H3,(H3,13,15,17)(H3,14,16,18)/t6-,7+,8-,12-/m0/s1
InChIKeyGDRJLMMDAIYYRU-MEUQOTJWSA-N
XLogP0.52
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea with MolForge

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Related Compounds

ethyl N-[(1R,2S,3R,4S)-3-(ethoxycarbonylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 11868331
N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 100805840
1-phenyl-3-[(1S,2S,3R,4S)-1,7,7-trimethyl-3-(phenylcarbamothioylamino)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 18389898
ethyl N-[(1S,2R,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 7054096
(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
CID 22217643
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
(2,2,3,3-tetramethylcyclopropyl)urea
CID 558568
1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
CID 14764693
1-[(2S,3R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 59004857
(1R,2R,3S,4R)-3-(2-hydroxyethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124768497
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
CID 11897566
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The IUPAC name of [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (CID 100805855) is [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.
What is the SMILES notation for [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The canonical SMILES for [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(N)=O)[C@@H]2NC(N)=O.
What is the InChIKey of [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The InChIKey is GDRJLMMDAIYYRU-MEUQOTJWSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(2)6-4-5-12(11,3)8(16-10(14)18)7(6)15-9(13)17/h6-8H,4-5H2,1-3H3,(H3,13,15,17)(H3,14,16,18)/t6-,7+,8-,12-/m0/s1.
What are the key properties of [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea has a molecular weight of 254.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is sourced from PubChem (CID 100805855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).