2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid

C11H19N5O3 — CID 113314010

IUPAC2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCC(C)CN(C)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H19N5O3/c1-8(2)5-15(3)11(19)12-4-9-6-16(14-13-9)7-10(17)18/h6,8H,4-5,7H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyBTLTYPMEDRAPAQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.16
Rot. Bonds6

About 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 113314010) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID113314010
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCC(C)CN(C)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H19N5O3/c1-8(2)5-15(3)11(19)12-4-9-6-16(14-13-9)7-10(17)18/h6,8H,4-5,7H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyBTLTYPMEDRAPAQ-UHFFFAOYSA-N
XLogP0.16
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458658
2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458633
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458655
2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698322
2-[4-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458591
2-[4-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458712
2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313833
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-[4-[[(3-methylsulfanylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698719
2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458673
2-[4-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 104763980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid (CID 113314010) is 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid is CC(C)CN(C)C(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is BTLTYPMEDRAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8(2)5-15(3)11(19)12-4-9-6-16(14-13-9)7-10(17)18/h6,8H,4-5,7H2,1-3H3,(H,12,19)(H,17,18).
What are the key properties of 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 269.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 113314010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).