4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide

C11H22N2O3 — CID 81131323

IUPAC4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(12)2-3-10(14)13-8-11(15)4-6-16-7-5-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyIQXKPMQXQWFNNC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.23
Rot. Bonds5

About 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide (PubChem CID 81131323) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
PubChem CID81131323
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(12)2-3-10(14)13-8-11(15)4-6-16-7-5-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyIQXKPMQXQWFNNC-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide (CID 81131323) is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide is CC(N)CCC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
The InChIKey is IQXKPMQXQWFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(12)2-3-10(14)13-8-11(15)4-6-16-7-5-11/h9,15H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide?
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide has a molecular weight of 230.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 81131323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).