(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid

C11H20N2O4S — CID 114117081

IUPAC(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid
SMILESCSC1(CNC(=O)N[C@H](CCO)C(=O)O)CCC1
InChIInChI=1S/C11H20N2O4S/c1-18-11(4-2-5-11)7-12-10(17)13-8(3-6-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyACPOGNXQSUQGSI-MRVPVSSYSA-N
MW276.36 g/mol
LogP0.41
Rot. Bonds7

About (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid (PubChem CID 114117081) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid
PubChem CID114117081
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid
SMILESCSC1(CNC(=O)N[C@H](CCO)C(=O)O)CCC1
InChIInChI=1S/C11H20N2O4S/c1-18-11(4-2-5-11)7-12-10(17)13-8(3-6-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyACPOGNXQSUQGSI-MRVPVSSYSA-N
XLogP0.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
5-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]hexanoic acid
CID 114117016
2-hydroxy-4-[(1-methylsulfanylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 114117173
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 105419519
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
2-[1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114117120
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
CID 105419510

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid (CID 114117081) is (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid is CSC1(CNC(=O)N[C@H](CCO)C(=O)O)CCC1.
What is the InChIKey of (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid?
The InChIKey is ACPOGNXQSUQGSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18-11(4-2-5-11)7-12-10(17)13-8(3-6-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid has a molecular weight of 276.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114117081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).