2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid

C11H16N4O4 — CID 66127823

IUPAC2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCn1nc(C)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H16N4O4/c1-3-15-8(4-7(2)14-15)11(19)13-5-9(16)12-6-10(17)18/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyCIBVDOPKTYZVNS-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.86
Rot. Bonds6

About 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 66127823) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID66127823
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCn1nc(C)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H16N4O4/c1-3-15-8(4-7(2)14-15)11(19)13-5-9(16)12-6-10(17)18/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyCIBVDOPKTYZVNS-UHFFFAOYSA-N
XLogP-0.86
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid (CID 66127823) is 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid is CCn1nc(C)cc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is CIBVDOPKTYZVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-15-8(4-7(2)14-15)11(19)13-5-9(16)12-6-10(17)18/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,19)(H,17,18).
What are the key properties of 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 66127823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).