2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide

C13H24N2O3 — CID 106101785

IUPAC2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H24N2O3/c1-9-13(17,5-6-18-9)8-15-12(16)11-4-2-3-10(11)7-14/h9-11,17H,2-8,14H2,1H3,(H,15,16)
InChIKeyFZCUQQPXUOHSEX-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.02
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 106101785) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID106101785
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H24N2O3/c1-9-13(17,5-6-18-9)8-15-12(16)11-4-2-3-10(11)7-14/h9-11,17H,2-8,14H2,1H3,(H,15,16)
InChIKeyFZCUQQPXUOHSEX-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]spiro[2.4]heptane-2-carboxamide
CID 128158929
4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 107301601
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 114094528
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)cyclopentane-1-carboxamide
CID 65894208
2-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 65894964
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopentane-1-carboxamide
CID 65894971
2-(aminomethyl)-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66185812
2-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 81130378
2-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide
CID 82728895
cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide
CID 100660597
trans-(1R,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide
CID 100660624

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide (CID 106101785) is 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FZCUQQPXUOHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-13(17,5-6-18-9)8-15-12(16)11-4-2-3-10(11)7-14/h9-11,17H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106101785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).