(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid

C4H8N2O3S — CID 93495433

IUPAC(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid
SMILESCS[C@H](NC(N)=O)C(=O)O
InChIInChI=1S/C4H8N2O3S/c1-10-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m0/s1
InChIKeySGWBCLONFYGWJL-REOHCLBHSA-N
MW164.19 g/mol
LogP-0.57
Rot. Bonds3

About (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid

(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid (PubChem CID 93495433) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid
PubChem CID93495433
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Name(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid
SMILESCS[C@H](NC(N)=O)C(=O)O
InChIInChI=1S/C4H8N2O3S/c1-10-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m0/s1
InChIKeySGWBCLONFYGWJL-REOHCLBHSA-N
XLogP-0.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(carbamoylamino)-2-fluoro-3-hydroxypropanoic acid
CID 139034450
N-[hydroxy(methylsulfanyl)methyl]acetamide
CID 163482156
2-(carbamoylamino)-2-chloroacetic acid
CID 171618791
CID 174427848
CID 174427848
acetic acid;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
CID 91408840
dichloromethylurea
CID 23083847
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 167231881
2-(carbamothioylamino)propanoic acid;hydrochloride
CID 141048433
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
2-[(1-amino-2-oxopropyl)disulfanyl]-2-(methylamino)acetic acid
CID 170265422
carbamic acid;ethane-1,1-diol
CID 175516501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid?
The IUPAC name of (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid (CID 93495433) is (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid.
What is the SMILES notation for (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid?
The canonical SMILES for (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid is CS[C@H](NC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid?
The InChIKey is SGWBCLONFYGWJL-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N2O3S/c1-10-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid?
(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid has a molecular weight of 164.19 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid is sourced from PubChem (CID 93495433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).