4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide

C10H20N2O3 — CID 107219096

IUPAC4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(6-13)12-9(14)10(7-11)2-4-15-5-3-10/h8,13H,2-7,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyOJQHBTYSMHOSBS-QMMMGPOBSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds4

About 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide

4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide (PubChem CID 107219096) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
PubChem CID107219096
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(6-13)12-9(14)10(7-11)2-4-15-5-3-10/h8,13H,2-7,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyOJQHBTYSMHOSBS-QMMMGPOBSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393
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-hexan-3-yloxane-4-carboxamide
CID 62117621
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide (CID 107219096) is 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide is C[C@@H](CO)NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The InChIKey is OJQHBTYSMHOSBS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(6-13)12-9(14)10(7-11)2-4-15-5-3-10/h8,13H,2-7,11H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 107219096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).