2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C13H20N4O4 — CID 115289122

IUPAC2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCC1CN(C(=O)NC(C(=O)O)c2cnn(C)c2)CCO1
InChIInChI=1S/C13H20N4O4/c1-3-10-8-17(4-5-21-10)13(20)15-11(12(18)19)9-6-14-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyACTMKBMBDIDIHM-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.37
Rot. Bonds4

About 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115289122) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115289122
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCC1CN(C(=O)NC(C(=O)O)c2cnn(C)c2)CCO1
InChIInChI=1S/C13H20N4O4/c1-3-10-8-17(4-5-21-10)13(20)15-11(12(18)19)9-6-14-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyACTMKBMBDIDIHM-UHFFFAOYSA-N
XLogP0.37
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
CID 113279547
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289282
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289133
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289027
2-(1,4-diazepane-1-carbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289155
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115289122) is 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is CCC1CN(C(=O)NC(C(=O)O)c2cnn(C)c2)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is ACTMKBMBDIDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-10-8-17(4-5-21-10)13(20)15-11(12(18)19)9-6-14-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 296.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115289122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).