[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid

C9H16N2O5 — CID 146636200

IUPAC[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
SMILESCO[C@H]1CC[C@H](NC(=O)O)C[C@@H]1NC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-7-3-2-5(10-8(12)13)4-6(7)11-9(14)15/h5-7,10-11H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,6-,7-/m0/s1
InChIKeyPLISDHZACQRBKZ-ACZMJKKPSA-N
MW232.24 g/mol
LogP0.46
Rot. Bonds3

About [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid

[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid (PubChem CID 146636200) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
PubChem CID146636200
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
SMILESCO[C@H]1CC[C@H](NC(=O)O)C[C@@H]1NC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-7-3-2-5(10-8(12)13)4-6(7)11-9(14)15/h5-7,10-11H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,6-,7-/m0/s1
InChIKeyPLISDHZACQRBKZ-ACZMJKKPSA-N
XLogP0.46
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid?
The IUPAC name of [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid (CID 146636200) is [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid is CO[C@H]1CC[C@H](NC(=O)O)C[C@@H]1NC(=O)O.
What is the InChIKey of [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid?
The InChIKey is PLISDHZACQRBKZ-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-16-7-3-2-5(10-8(12)13)4-6(7)11-9(14)15/h5-7,10-11H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,6-,7-/m0/s1.
What are the key properties of [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid?
[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid has a molecular weight of 232.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid is sourced from PubChem (CID 146636200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).