(2-hydroxycyclopropyl)carbamic acid

C4H7NO3 — CID 91183587

IUPAC(2-hydroxycyclopropyl)carbamic acid
SMILESO=C(O)NC1CC1O
InChIInChI=1S/C4H7NO3/c6-3-1-2(3)5-4(7)8/h2-3,5-6H,1H2,(H,7,8)
InChIKeyNSRTTYCLWXUTTD-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.61
Rot. Bonds1

About (2-hydroxycyclopropyl)carbamic acid

(2-hydroxycyclopropyl)carbamic acid (PubChem CID 91183587) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (2-hydroxycyclopropyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxycyclopropyl)carbamic acid
PubChem CID91183587
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(2-hydroxycyclopropyl)carbamic acid
SMILESO=C(O)NC1CC1O
InChIInChI=1S/C4H7NO3/c6-3-1-2(3)5-4(7)8/h2-3,5-6H,1H2,(H,7,8)
InChIKeyNSRTTYCLWXUTTD-UHFFFAOYSA-N
XLogP-0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopropyl)carbamic acid?
The IUPAC name of (2-hydroxycyclopropyl)carbamic acid (CID 91183587) is (2-hydroxycyclopropyl)carbamic acid.
What is the SMILES notation for (2-hydroxycyclopropyl)carbamic acid?
The canonical SMILES for (2-hydroxycyclopropyl)carbamic acid is O=C(O)NC1CC1O.
What is the InChIKey of (2-hydroxycyclopropyl)carbamic acid?
The InChIKey is NSRTTYCLWXUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-3-1-2(3)5-4(7)8/h2-3,5-6H,1H2,(H,7,8).
What are the key properties of (2-hydroxycyclopropyl)carbamic acid?
(2-hydroxycyclopropyl)carbamic acid has a molecular weight of 117.10 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopropyl)carbamic acid is sourced from PubChem (CID 91183587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).