[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate

C11H15N3O4S — CID 2448225

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
SMILESC[C@H](NC(N)=O)C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C11H15N3O4S/c1-7(14-11(12)17)10(16)18-6-9(15)13-5-8-3-2-4-19-8/h2-4,7H,5-6H2,1H3,(H,13,15)(H3,12,14,17)/t7-/m0/s1
InChIKeyYXWXTDYGAPBSQM-ZETCQYMHSA-N
MW285.32 g/mol
LogP-0.04
Rot. Bonds6

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate (PubChem CID 2448225) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
PubChem CID2448225
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
SMILESC[C@H](NC(N)=O)C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C11H15N3O4S/c1-7(14-11(12)17)10(16)18-6-9(15)13-5-8-3-2-4-19-8/h2-4,7H,5-6H2,1H3,(H,13,15)(H3,12,14,17)/t7-/m0/s1
InChIKeyYXWXTDYGAPBSQM-ZETCQYMHSA-N
XLogP-0.04
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-valinate
CID 663465
N-[(thiophen-2-ylmethyl)carbamoyl]-L-alanine
CID 5389745
[2-[Methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate
CID 2554358
ethyl N-{[cyclopentyl(thien-2-ylmethyl)amino]carbonothioyl}glycinate
CID 3291314
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-methioninate
CID 663481
L-Cysteine, N-(2-thienylcarbonyl)-, ethyl ester
CID 3042860
(2S,3R)-methyl 3-methyl-2-(3-(thiophen-2-ylmethyl)ureido)pentanoate
CID 663927
methyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 22212224
methyl (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 90680467
l-Alanine, N-(2-thienylcarbonyl)-, propyl ester
CID 6422186
l-Alanine, N-(2-thienylcarbonyl)-, methyl ester
CID 531387
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8850626

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate (CID 2448225) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate is C[C@H](NC(N)=O)C(=O)OCC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate?
The InChIKey is YXWXTDYGAPBSQM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(14-11(12)17)10(16)18-6-9(15)13-5-8-3-2-4-19-8/h2-4,7H,5-6H2,1H3,(H,13,15)(H3,12,14,17)/t7-/m0/s1.
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate has a molecular weight of 285.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate is sourced from PubChem (CID 2448225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).