4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide

C11H22N2O3 — CID 115438973

IUPAC4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
SMILESCCC(CO)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-2-9(7-14)13-10(15)11(8-12)3-5-16-6-4-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyZLVJNFASCIWJNP-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds5

About 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide (PubChem CID 115438973) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
PubChem CID115438973
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
SMILESCCC(CO)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-2-9(7-14)13-10(15)11(8-12)3-5-16-6-4-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyZLVJNFASCIWJNP-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)propyl]oxane-4-carboxamide
CID 120934203
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide (CID 115438973) is 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide is CCC(CO)NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide?
The InChIKey is ZLVJNFASCIWJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-9(7-14)13-10(15)11(8-12)3-5-16-6-4-11/h9,14H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115438973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).