(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C11H15N3O3S — CID 50851192

IUPAC(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESNCCNC(=O)[C@@H]1COC(=O)N1Cc1cccs1
InChIInChI=1S/C11H15N3O3S/c12-3-4-13-10(15)9-7-17-11(16)14(9)6-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,15)/t9-/m0/s1
InChIKeyRRCDFEBEGSJZRG-VIFPVBQESA-N
MW269.33 g/mol
LogP0.14
Rot. Bonds5

About (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851192) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851192
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESNCCNC(=O)[C@@H]1COC(=O)N1Cc1cccs1
InChIInChI=1S/C11H15N3O3S/c12-3-4-13-10(15)9-7-17-11(16)14(9)6-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,15)/t9-/m0/s1
InChIKeyRRCDFEBEGSJZRG-VIFPVBQESA-N
XLogP0.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(2-morpholin-4-ylethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851360
(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851245
(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851191
(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851590
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851192) is (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is NCCNC(=O)[C@@H]1COC(=O)N1Cc1cccs1.
What is the InChIKey of (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is RRCDFEBEGSJZRG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-3-4-13-10(15)9-7-17-11(16)14(9)6-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).