(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

C10H18N2O3S — CID 104909881

IUPAC(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-12(7-3-4-7)10(15)11-8(9(13)14)5-6-16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyYHGUASZSBPJPDY-MRVPVSSYSA-N
MW246.33 g/mol
LogP1.00
Rot. Bonds6

About (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 104909881) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID104909881
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-12(7-3-4-7)10(15)11-8(9(13)14)5-6-16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyYHGUASZSBPJPDY-MRVPVSSYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
2-[[methyl(oxolan-3-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 82742681
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61205415
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 102633310
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909830
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
(2R)-2-[[ethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906564
2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61407947
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61408606
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (CID 104909881) is (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](NC(=O)N(C)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is YHGUASZSBPJPDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-12(7-3-4-7)10(15)11-8(9(13)14)5-6-16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 246.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104909881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).