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

C9H18N2O3 — CID 107219174

IUPAC4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N2O3/c1-7(6-12)11-8(13)9(10)2-4-14-5-3-9/h7,12H,2-6,10H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyVXHLSLHOTYZRSF-ZETCQYMHSA-N
MW202.25 g/mol
LogP-1.01
Rot. Bonds3

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

4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide (PubChem CID 107219174) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
PubChem CID107219174
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N2O3/c1-7(6-12)11-8(13)9(10)2-4-14-5-3-9/h7,12H,2-6,10H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyVXHLSLHOTYZRSF-ZETCQYMHSA-N
XLogP-1.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
CID 115294787
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide (CID 107219174) is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide is C[C@@H](CO)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The InChIKey is VXHLSLHOTYZRSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(6-12)11-8(13)9(10)2-4-14-5-3-9/h7,12H,2-6,10H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 107219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).