(1-amino-4-methoxycyclohexyl)methylcarbamic acid

C9H18N2O3 — CID 138598418

IUPAC(1-amino-4-methoxycyclohexyl)methylcarbamic acid
SMILESCOC1CCC(N)(CNC(=O)O)CC1
InChIInChI=1S/C9H18N2O3/c1-14-7-2-4-9(10,5-3-7)6-11-8(12)13/h7,11H,2-6,10H2,1H3,(H,12,13)
InChIKeyWBFZVTZMUNPAFB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds3

About (1-amino-4-methoxycyclohexyl)methylcarbamic acid

(1-amino-4-methoxycyclohexyl)methylcarbamic acid (PubChem CID 138598418) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1-amino-4-methoxycyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(1-amino-4-methoxycyclohexyl)methylcarbamic acid
PubChem CID138598418
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(1-amino-4-methoxycyclohexyl)methylcarbamic acid
SMILESCOC1CCC(N)(CNC(=O)O)CC1
InChIInChI=1S/C9H18N2O3/c1-14-7-2-4-9(10,5-3-7)6-11-8(12)13/h7,11H,2-6,10H2,1H3,(H,12,13)
InChIKeyWBFZVTZMUNPAFB-UHFFFAOYSA-N
XLogP0.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
1-amino-4-methoxycyclohexan-1-ol
CID 170572997
2-(1-amino-4-methoxycyclohexyl)acetonitrile
CID 155664296
N-[(1-aminocyclopropyl)methyl]-2-methoxyacetamide
CID 165463023
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
4-methoxy-1-methylcyclohexan-1-amine
CID 59419772
2-(1-amino-3-methoxycyclohexyl)acetic acid
CID 106874447
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737
(4-methoxycyclohexyl)carbamic acid
CID 68557751
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methoxycyclohexyl)methylcarbamic acid?
The IUPAC name of (1-amino-4-methoxycyclohexyl)methylcarbamic acid (CID 138598418) is (1-amino-4-methoxycyclohexyl)methylcarbamic acid.
What is the SMILES notation for (1-amino-4-methoxycyclohexyl)methylcarbamic acid?
The canonical SMILES for (1-amino-4-methoxycyclohexyl)methylcarbamic acid is COC1CCC(N)(CNC(=O)O)CC1.
What is the InChIKey of (1-amino-4-methoxycyclohexyl)methylcarbamic acid?
The InChIKey is WBFZVTZMUNPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-7-2-4-9(10,5-3-7)6-11-8(12)13/h7,11H,2-6,10H2,1H3,(H,12,13).
What are the key properties of (1-amino-4-methoxycyclohexyl)methylcarbamic acid?
(1-amino-4-methoxycyclohexyl)methylcarbamic acid has a molecular weight of 202.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methoxycyclohexyl)methylcarbamic acid is sourced from PubChem (CID 138598418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).