3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one

C11H19N3O3 — CID 116652991

IUPAC3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one
SMILESCN(CC(=O)N1CCOC1=O)C(CN)C1CC1
InChIInChI=1S/C11H19N3O3/c1-13(9(6-12)8-2-3-8)7-10(15)14-4-5-17-11(14)16/h8-9H,2-7,12H2,1H3
InChIKeyKGIIKPWAHLOEBM-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.37
Rot. Bonds5

About 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one

3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one (PubChem CID 116652991) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one
PubChem CID116652991
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one
SMILESCN(CC(=O)N1CCOC1=O)C(CN)C1CC1
InChIInChI=1S/C11H19N3O3/c1-13(9(6-12)8-2-3-8)7-10(15)14-4-5-17-11(14)16/h8-9H,2-7,12H2,1H3
InChIKeyKGIIKPWAHLOEBM-UHFFFAOYSA-N
XLogP-0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 116652523
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-[methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786312
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 116652579
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258592

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one (CID 116652991) is 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one is CN(CC(=O)N1CCOC1=O)C(CN)C1CC1.
What is the InChIKey of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is KGIIKPWAHLOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13(9(6-12)8-2-3-8)7-10(15)14-4-5-17-11(14)16/h8-9H,2-7,12H2,1H3.
What are the key properties of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 116652991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).