(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid

C6H12N2O3S — CID 23618356

IUPAC(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
SMILESCCNC(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H12N2O3S/c1-2-7-6(11)8-4(3-12)5(9)10/h4,12H,2-3H2,1H3,(H,9,10)(H2,7,8,11)/t4-/m0/s1
InChIKeyCDGRXKWMRIHHDD-BYPYZUCNSA-N
MW192.24 g/mol
LogP-0.31
Rot. Bonds4

About (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid

(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid (PubChem CID 23618356) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
PubChem CID23618356
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
SMILESCCNC(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H12N2O3S/c1-2-7-6(11)8-4(3-12)5(9)10/h4,12H,2-3H2,1H3,(H,9,10)(H2,7,8,11)/t4-/m0/s1
InChIKeyCDGRXKWMRIHHDD-BYPYZUCNSA-N
XLogP-0.31
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
CID 88724401
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
CID 2459
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid (CID 23618356) is (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid is CCNC(=O)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid?
The InChIKey is CDGRXKWMRIHHDD-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-2-7-6(11)8-4(3-12)5(9)10/h4,12H,2-3H2,1H3,(H,9,10)(H2,7,8,11)/t4-/m0/s1.
What are the key properties of (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid?
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid has a molecular weight of 192.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 23618356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).