propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C9H16N2O4 — CID 112594210

IUPACpropan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC(C)OC(=O)CN1CC(CN)OC1=O
InChIInChI=1S/C9H16N2O4/c1-6(2)14-8(12)5-11-4-7(3-10)15-9(11)13/h6-7H,3-5,10H2,1-2H3
InChIKeyHNGHKRACEKAXKC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.28
Rot. Bonds4

About propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 112594210) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID112594210
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namepropan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC(C)OC(=O)CN1CC(CN)OC1=O
InChIInChI=1S/C9H16N2O4/c1-6(2)14-8(12)5-11-4-7(3-10)15-9(11)13/h6-7H,3-5,10H2,1-2H3
InChIKeyHNGHKRACEKAXKC-UHFFFAOYSA-N
XLogP-0.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
CID 112594273
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 112594309
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 59742701
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(aminomethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-oxazolidin-2-one
CID 112594290
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112594276
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056620
2-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 23551399

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 112594210) is propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CC(C)OC(=O)CN1CC(CN)OC1=O.
What is the InChIKey of propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is HNGHKRACEKAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(2)14-8(12)5-11-4-7(3-10)15-9(11)13/h6-7H,3-5,10H2,1-2H3.
What are the key properties of propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 216.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 112594210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).