[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea

C10H22N4O2 — CID 92527887

IUPAC[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
SMILESCCC[C@H](NC(N)=O)[C@@H](CCC)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-5-7(13-9(11)15)8(6-4-2)14-10(12)16/h7-8H,3-6H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t7-,8+
InChIKeyCOWRUZRIWKCLGP-OCAPTIKFSA-N
MW230.31 g/mol
LogP0.66
Rot. Bonds7

About [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea

[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea (PubChem CID 92527887) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea.

Molecular Properties

Compound Name[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
PubChem CID92527887
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
SMILESCCC[C@H](NC(N)=O)[C@@H](CCC)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-5-7(13-9(11)15)8(6-4-2)14-10(12)16/h7-8H,3-6H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t7-,8+
InChIKeyCOWRUZRIWKCLGP-OCAPTIKFSA-N
XLogP0.66
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea?
The IUPAC name of [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea (CID 92527887) is [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea.
What is the SMILES notation for [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea?
The canonical SMILES for [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea is CCC[C@H](NC(N)=O)[C@@H](CCC)NC(N)=O.
What is the InChIKey of [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea?
The InChIKey is COWRUZRIWKCLGP-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-3-5-7(13-9(11)15)8(6-4-2)14-10(12)16/h7-8H,3-6H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t7-,8+.
What are the key properties of [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea?
[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea has a molecular weight of 230.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-(carbamoylamino)octan-4-yl]urea is sourced from PubChem (CID 92527887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).