[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid

C7H14N2O3 — CID 130303554

IUPAC[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid
SMILESN[C@@H]1CC[C@@H](NC(=O)O)C[C@H]1O
InChIInChI=1S/C7H14N2O3/c8-5-2-1-4(3-6(5)10)9-7(11)12/h4-6,9-10H,1-3,8H2,(H,11,12)/t4-,5-,6-/m1/s1
InChIKeyHBMALUPTNZSWHQ-HSUXUTPPSA-N
MW174.20 g/mol
LogP-0.51
Rot. Bonds1

About [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid

[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid (PubChem CID 130303554) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid
PubChem CID130303554
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid
SMILESN[C@@H]1CC[C@@H](NC(=O)O)C[C@H]1O
InChIInChI=1S/C7H14N2O3/c8-5-2-1-4(3-6(5)10)9-7(11)12/h4-6,9-10H,1-3,8H2,(H,11,12)/t4-,5-,6-/m1/s1
InChIKeyHBMALUPTNZSWHQ-HSUXUTPPSA-N
XLogP-0.51
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid?
The IUPAC name of [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid (CID 130303554) is [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid?
The canonical SMILES for [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid is N[C@@H]1CC[C@@H](NC(=O)O)C[C@H]1O.
What is the InChIKey of [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid?
The InChIKey is HBMALUPTNZSWHQ-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-5-2-1-4(3-6(5)10)9-7(11)12/h4-6,9-10H,1-3,8H2,(H,11,12)/t4-,5-,6-/m1/s1.
What are the key properties of [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid?
[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid has a molecular weight of 174.20 g/mol, XLogP of -0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid is sourced from PubChem (CID 130303554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).