3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide

C10H20N2O3 — CID 66008403

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide
SMILESCOCC(O)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-9(13)5-12-10(14)7-2-3-8(11)4-7/h7-9,13H,2-6,11H2,1H3,(H,12,14)
InChIKeyXMMZFYZVQOXVAJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds5

About 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide

3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide (PubChem CID 66008403) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide
PubChem CID66008403
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide
SMILESCOCC(O)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-9(13)5-12-10(14)7-2-3-8(11)4-7/h7-9,13H,2-6,11H2,1H3,(H,12,14)
InChIKeyXMMZFYZVQOXVAJ-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide (CID 66008403) is 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide is COCC(O)CNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide?
The InChIKey is XMMZFYZVQOXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-6-9(13)5-12-10(14)7-2-3-8(11)4-7/h7-9,13H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66008403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).