(2-methoxycyclopropyl)carbamic acid

C5H9NO3 — CID 91613377

IUPAC(2-methoxycyclopropyl)carbamic acid
SMILESCOC1CC1NC(=O)O
InChIInChI=1S/C5H9NO3/c1-9-4-2-3(4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyRLOIBFWUFBZUKA-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.04
Rot. Bonds2

About (2-methoxycyclopropyl)carbamic acid

(2-methoxycyclopropyl)carbamic acid (PubChem CID 91613377) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2-methoxycyclopropyl)carbamic acid.

Molecular Properties

Compound Name(2-methoxycyclopropyl)carbamic acid
PubChem CID91613377
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2-methoxycyclopropyl)carbamic acid
SMILESCOC1CC1NC(=O)O
InChIInChI=1S/C5H9NO3/c1-9-4-2-3(4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyRLOIBFWUFBZUKA-UHFFFAOYSA-N
XLogP0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
CID 146636200
(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid
CID 67548871
[(1S,3R,4R)-4-(hydroxymethyl)-3-methoxycyclohexyl]carbamic acid
CID 90107864
[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid
CID 146636282
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
methyl 3,4,5-trimethoxycyclohexane-1-carboxylate
CID 121285425
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
CID 118119974
(4-methoxycyclohexyl)carbamic acid
CID 68557751
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclopropyl)carbamic acid?
The IUPAC name of (2-methoxycyclopropyl)carbamic acid (CID 91613377) is (2-methoxycyclopropyl)carbamic acid.
What is the SMILES notation for (2-methoxycyclopropyl)carbamic acid?
The canonical SMILES for (2-methoxycyclopropyl)carbamic acid is COC1CC1NC(=O)O.
What is the InChIKey of (2-methoxycyclopropyl)carbamic acid?
The InChIKey is RLOIBFWUFBZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-4-2-3(4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of (2-methoxycyclopropyl)carbamic acid?
(2-methoxycyclopropyl)carbamic acid has a molecular weight of 131.13 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopropyl)carbamic acid is sourced from PubChem (CID 91613377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).