[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid

C10H20N2O3 — CID 69264040

IUPAC[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
SMILESCC([C@H](N)[C@H]1CCCOC1)N(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(12(2)10(13)14)9(11)8-4-3-5-15-6-8/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1
InChIKeyVMRPXYILWPJTEL-NPPUSCPJSA-N
MW216.28 g/mol
LogP0.74
Rot. Bonds3

About [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid

[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid (PubChem CID 69264040) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
PubChem CID69264040
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
SMILESCC([C@H](N)[C@H]1CCCOC1)N(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(12(2)10(13)14)9(11)8-4-3-5-15-6-8/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1
InChIKeyVMRPXYILWPJTEL-NPPUSCPJSA-N
XLogP0.74
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
bis(oxan-3-yl)methanamine
CID 107136437
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361910
2-(oxan-3-yl)pentan-3-one
CID 107135382
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
2-(oxan-3-yl)butanoic acid
CID 82411862

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid?
The IUPAC name of [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid (CID 69264040) is [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid?
The canonical SMILES for [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid is CC([C@H](N)[C@H]1CCCOC1)N(C)C(=O)O.
What is the InChIKey of [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid?
The InChIKey is VMRPXYILWPJTEL-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(12(2)10(13)14)9(11)8-4-3-5-15-6-8/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1.
What are the key properties of [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid?
[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid has a molecular weight of 216.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 69264040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).