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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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).