2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

C10H15N3O3S — CID 103004667

IUPAC2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCn1nccc1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-13-8(3-5-12-13)2-4-11-9(14)6-17-7-10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16)
InChIKeyZIUJQJBSZHENRV-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.10
Rot. Bonds7

About 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 103004667) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID103004667
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCn1nccc1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-13-8(3-5-12-13)2-4-11-9(14)6-17-7-10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16)
InChIKeyZIUJQJBSZHENRV-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 103004667) is 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is Cn1nccc1CCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ZIUJQJBSZHENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13-8(3-5-12-13)2-4-11-9(14)6-17-7-10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 257.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 103004667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).