(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid

C10H18N2O3S — CID 39259773

IUPAC(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CSCN1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-6(2)3-7(10(14)15)12-9(13)8-4-16-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyXWXKHPNFTSUISU-YUMQZZPRSA-N
MW246.33 g/mol
LogP0.26
Rot. Bonds5

About (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid

(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid (PubChem CID 39259773) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid
PubChem CID39259773
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CSCN1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-6(2)3-7(10(14)15)12-9(13)8-4-16-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyXWXKHPNFTSUISU-YUMQZZPRSA-N
XLogP0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid (CID 39259773) is (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)[C@@H]1CSCN1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid?
The InChIKey is XWXKHPNFTSUISU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(2)3-7(10(14)15)12-9(13)8-4-16-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid has a molecular weight of 246.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 39259773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).