N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide

C9H15NO3 — CID 131110471

IUPACN-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)N[C@@H]2C[C@H]2CO)COC1
InChIInChI=1S/C9H15NO3/c1-9(4-13-5-9)8(12)10-7-2-6(7)3-11/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyPLSUDGNSWCYFQD-NKWVEPMBSA-N
MW185.22 g/mol
LogP-0.48
Rot. Bonds3

About N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide

N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide (PubChem CID 131110471) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide
PubChem CID131110471
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)N[C@@H]2C[C@H]2CO)COC1
InChIInChI=1S/C9H15NO3/c1-9(4-13-5-9)8(12)10-7-2-6(7)3-11/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyPLSUDGNSWCYFQD-NKWVEPMBSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide (CID 131110471) is N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)N[C@@H]2C[C@H]2CO)COC1.
What is the InChIKey of N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide?
The InChIKey is PLSUDGNSWCYFQD-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(4-13-5-9)8(12)10-7-2-6(7)3-11/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide?
N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide has a molecular weight of 185.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 131110471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).