4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide

C12H22N2O3 — CID 113280753

IUPAC4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c13-12(5-7-17-8-6-12)10(16)14-11(9-15)3-1-2-4-11/h15H,1-9,13H2,(H,14,16)
InChIKeyHFWGUCJYARUWTO-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds3

About 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide

4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide (PubChem CID 113280753) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
PubChem CID113280753
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c13-12(5-7-17-8-6-12)10(16)14-11(9-15)3-1-2-4-11/h15H,1-9,13H2,(H,14,16)
InChIKeyHFWGUCJYARUWTO-UHFFFAOYSA-N
XLogP-0.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
CID 115294821
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
CID 66263746
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylthiolane-2-carboxamide
CID 106298135
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64892980
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
CID 106298831
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide (CID 113280753) is 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide is NC1(C(=O)NC2(CO)CCCC2)CCOCC1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide?
The InChIKey is HFWGUCJYARUWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-12(5-7-17-8-6-12)10(16)14-11(9-15)3-1-2-4-11/h15H,1-9,13H2,(H,14,16).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide is sourced from PubChem (CID 113280753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).