(2-amino-3-hydroxycyclohexyl)carbamic acid

C7H14N2O3 — CID 122516503

IUPAC(2-amino-3-hydroxycyclohexyl)carbamic acid
SMILESNC1C(O)CCCC1NC(=O)O
InChIInChI=1S/C7H14N2O3/c8-6-4(9-7(11)12)2-1-3-5(6)10/h4-6,9-10H,1-3,8H2,(H,11,12)
InChIKeyKBPGDZYLEOZIJJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.51
Rot. Bonds1

About (2-amino-3-hydroxycyclohexyl)carbamic acid

(2-amino-3-hydroxycyclohexyl)carbamic acid (PubChem CID 122516503) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2-amino-3-hydroxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-3-hydroxycyclohexyl)carbamic acid
PubChem CID122516503
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2-amino-3-hydroxycyclohexyl)carbamic acid
SMILESNC1C(O)CCCC1NC(=O)O
InChIInChI=1S/C7H14N2O3/c8-6-4(9-7(11)12)2-1-3-5(6)10/h4-6,9-10H,1-3,8H2,(H,11,12)
InChIKeyKBPGDZYLEOZIJJ-UHFFFAOYSA-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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Related Compounds

tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
(2-aminocyclooct-3-en-1-yl)carbamic acid
CID 147865429
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
CID 170429908
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
(5-aminocyclooctyl)carbamic acid
CID 89189209
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1S,2R)-2-hydroxycyclopentyl]carbamoyl iodide
CID 122536489
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-hydroxycyclohexyl)carbamic acid?
The IUPAC name of (2-amino-3-hydroxycyclohexyl)carbamic acid (CID 122516503) is (2-amino-3-hydroxycyclohexyl)carbamic acid.
What is the SMILES notation for (2-amino-3-hydroxycyclohexyl)carbamic acid?
The canonical SMILES for (2-amino-3-hydroxycyclohexyl)carbamic acid is NC1C(O)CCCC1NC(=O)O.
What is the InChIKey of (2-amino-3-hydroxycyclohexyl)carbamic acid?
The InChIKey is KBPGDZYLEOZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-6-4(9-7(11)12)2-1-3-5(6)10/h4-6,9-10H,1-3,8H2,(H,11,12).
What are the key properties of (2-amino-3-hydroxycyclohexyl)carbamic acid?
(2-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 (2-amino-3-hydroxycyclohexyl)carbamic acid is sourced from PubChem (CID 122516503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).