2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid

C12H19N5O4 — CID 106303808

IUPAC2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCCn1cnnc1CNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H19N5O4/c1-2-16-8-14-15-10(16)6-13-12(20)17-3-4-21-7-9(17)5-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyLIKMIZCGLVJTNC-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.32
Rot. Bonds5

About 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid

2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid (PubChem CID 106303808) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
PubChem CID106303808
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCCn1cnnc1CNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H19N5O4/c1-2-16-8-14-15-10(16)6-13-12(20)17-3-4-21-7-9(17)5-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyLIKMIZCGLVJTNC-UHFFFAOYSA-N
XLogP-0.32
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3S)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
CID 95874501
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
CID 95874500
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106303746
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 96566156
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid (CID 106303808) is 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid is CCn1cnnc1CNC(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is LIKMIZCGLVJTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-2-16-8-14-15-10(16)6-13-12(20)17-3-4-21-7-9(17)5-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid?
2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 106303808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).