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

C9H14N2O3S — CID 61161099

IUPAC2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CSCN1)C1CC1
InChIInChI=1S/C9H14N2O3S/c12-8(13)3-11(6-1-2-6)9(14)7-4-15-5-10-7/h6-7,10H,1-5H2,(H,12,13)
InChIKeyYAQHPCCGTMNVRL-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.28
Rot. Bonds4

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

2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid (PubChem CID 61161099) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
PubChem CID61161099
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CSCN1)C1CC1
InChIInChI=1S/C9H14N2O3S/c12-8(13)3-11(6-1-2-6)9(14)7-4-15-5-10-7/h6-7,10H,1-5H2,(H,12,13)
InChIKeyYAQHPCCGTMNVRL-UHFFFAOYSA-N
XLogP-0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 43579611
2-[cyclopropylmethyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161421
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
2-[cyclopentyl(piperidine-2-carbonyl)amino]acetic acid
CID 61159763
2-[cyclopentyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913615
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
1,3-thiazolidine-4-carboxylic acid
CID 9934
N-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
CID 131080910
2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60826938
N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
CID 82909072
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124683336

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid (CID 61161099) is 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CSCN1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The InChIKey is YAQHPCCGTMNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-8(13)3-11(6-1-2-6)9(14)7-4-15-5-10-7/h6-7,10H,1-5H2,(H,12,13).
What are the key properties of 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid?
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid has a molecular weight of 230.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61161099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).