methyl 2-(oxan-3-ylamino)acetate

C8H15NO3 — CID 63364006

IUPACmethyl 2-(oxan-3-ylamino)acetate
SMILESCOC(=O)CNC1CCCOC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)5-9-7-3-2-4-12-6-7/h7,9H,2-6H2,1H3
InChIKeyGGTORZNQWBQQRQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-(oxan-3-ylamino)acetate

methyl 2-(oxan-3-ylamino)acetate (PubChem CID 63364006) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(oxan-3-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(oxan-3-ylamino)acetate
PubChem CID63364006
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(oxan-3-ylamino)acetate
SMILESCOC(=O)CNC1CCCOC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)5-9-7-3-2-4-12-6-7/h7,9H,2-6H2,1H3
InChIKeyGGTORZNQWBQQRQ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methanethiol;methyl 2-(oxolan-3-ylamino)acetate
CID 156892009
N-(2-methoxyethyl)-2-(oxan-3-ylamino)acetamide
CID 63363651
N-(1-methoxypropan-2-yl)-2-(oxan-3-ylamino)acetamide
CID 63363442
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
3-(oxan-3-ylamino)propanoic acid
CID 63363556
methyl 4-amino-3-(oxan-3-yl)butanoate
CID 66096417
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
CID 115889525
2,2-dimethyl-3-(oxan-3-ylamino)propanamide
CID 115978805
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(oxan-3-yl)acetamide
CID 55285282

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-3-ylamino)acetate?
The IUPAC name of methyl 2-(oxan-3-ylamino)acetate (CID 63364006) is methyl 2-(oxan-3-ylamino)acetate.
What is the SMILES notation for methyl 2-(oxan-3-ylamino)acetate?
The canonical SMILES for methyl 2-(oxan-3-ylamino)acetate is COC(=O)CNC1CCCOC1.
What is the InChIKey of methyl 2-(oxan-3-ylamino)acetate?
The InChIKey is GGTORZNQWBQQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)5-9-7-3-2-4-12-6-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 2-(oxan-3-ylamino)acetate?
methyl 2-(oxan-3-ylamino)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-3-ylamino)acetate is sourced from PubChem (CID 63364006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).