methyl (2R)-2-amino-4-(oxan-4-yl)butanoate

C10H19NO3 — CID 27282389

IUPACmethyl (2R)-2-amino-4-(oxan-4-yl)butanoate
SMILESCOC(=O)[C@H](N)CCC1CCOCC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8/h8-9H,2-7,11H2,1H3/t9-/m1/s1
InChIKeyWVNMFPGYVRGPLK-SECBINFHSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About methyl (2R)-2-amino-4-(oxan-4-yl)butanoate

methyl (2R)-2-amino-4-(oxan-4-yl)butanoate (PubChem CID 27282389) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-4-(oxan-4-yl)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4-(oxan-4-yl)butanoate
PubChem CID27282389
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-2-amino-4-(oxan-4-yl)butanoate
SMILESCOC(=O)[C@H](N)CCC1CCOCC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8/h8-9H,2-7,11H2,1H3/t9-/m1/s1
InChIKeyWVNMFPGYVRGPLK-SECBINFHSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
CID 88879043
CID 88879043
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
methyl 2-[[2-(oxan-4-yl)ethylamino]methyl]butanoate
CID 115253236
1-(oxan-4-yl)pentan-3-amine
CID 62386440
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4-(oxan-4-yl)butanoate?
The IUPAC name of methyl (2R)-2-amino-4-(oxan-4-yl)butanoate (CID 27282389) is methyl (2R)-2-amino-4-(oxan-4-yl)butanoate.
What is the SMILES notation for methyl (2R)-2-amino-4-(oxan-4-yl)butanoate?
The canonical SMILES for methyl (2R)-2-amino-4-(oxan-4-yl)butanoate is COC(=O)[C@H](N)CCC1CCOCC1.
What is the InChIKey of methyl (2R)-2-amino-4-(oxan-4-yl)butanoate?
The InChIKey is WVNMFPGYVRGPLK-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8/h8-9H,2-7,11H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4-(oxan-4-yl)butanoate?
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-4-(oxan-4-yl)butanoate is sourced from PubChem (CID 27282389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).