2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid

C6H10N2O3S — CID 171381409

IUPAC2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
SMILESO=C([15NH][13CH2][13C](=O)O)[C@@H]1CSCN1
InChIInChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10)/t4-/m0/s1/i1+1,5+1,7+1
InChIKeyNXTYBQWVXDPCKQ-UFTNKFRNSA-N
MW193.20 g/mol
LogP-1.15
Rot. Bonds3

About 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid

2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid (PubChem CID 171381409) has the molecular formula C6H10N2O3S and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid.

Molecular Properties

Compound Name2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
PubChem CID171381409
Molecular FormulaC6H10N2O3S
Molecular Weight193.20 g/mol
Exact Mass193.04
IUPAC Name2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
SMILESO=C([15NH][13CH2][13C](=O)O)[C@@H]1CSCN1
InChIInChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10)/t4-/m0/s1/i1+1,5+1,7+1
InChIKeyNXTYBQWVXDPCKQ-UFTNKFRNSA-N
XLogP-1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
1,3-thiazolidine-4-carboxylic acid
CID 9934
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid?
The IUPAC name of 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid (CID 171381409) is 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid.
What is the SMILES notation for 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid?
The canonical SMILES for 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid is O=C([15NH][13CH2][13C](=O)O)[C@@H]1CSCN1.
What is the InChIKey of 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid?
The InChIKey is NXTYBQWVXDPCKQ-UFTNKFRNSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10)/t4-/m0/s1/i1+1,5+1,7+1.
What are the key properties of 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid?
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid has a molecular weight of 193.20 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid is sourced from PubChem (CID 171381409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).