(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C9H18N2O3 — CID 90450549

IUPAC(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCCNC[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-7-6-14-9(2,3)11(7)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyHHNHHJOWVBYQBT-ZETCQYMHSA-N
MW202.25 g/mol
LogP0.71
Rot. Bonds3

About (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 90450549) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID90450549
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCCNC[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-7-6-14-9(2,3)11(7)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyHHNHHJOWVBYQBT-ZETCQYMHSA-N
XLogP0.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 90450549) is (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CCNC[C@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is HHNHHJOWVBYQBT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-5-7-6-14-9(2,3)11(7)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 90450549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).