2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid

C10H16N2O3S — CID 61161421

IUPAC2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1CSCN1
InChIInChI=1S/C10H16N2O3S/c13-9(14)4-12(3-7-1-2-7)10(15)8-5-16-6-11-8/h7-8,11H,1-6H2,(H,13,14)
InChIKeyMLKYFBNDDLVXDJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.03
Rot. Bonds5

About 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid

2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid (PubChem CID 61161421) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
PubChem CID61161421
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1CSCN1
InChIInChI=1S/C10H16N2O3S/c13-9(14)4-12(3-7-1-2-7)10(15)8-5-16-6-11-8/h7-8,11H,1-6H2,(H,13,14)
InChIKeyMLKYFBNDDLVXDJ-UHFFFAOYSA-N
XLogP-0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid (CID 61161421) is 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)C1CSCN1.
What is the InChIKey of 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The InChIKey is MLKYFBNDDLVXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(14)4-12(3-7-1-2-7)10(15)8-5-16-6-11-8/h7-8,11H,1-6H2,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid has a molecular weight of 244.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61161421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).