2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid

C11H19N5O3 — CID 63330527

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O3/c1-8(2)16(6-10(17)18)11(19)12-5-4-9-14-13-7-15(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyHBXZNLDVHRNWOB-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.14
Rot. Bonds6

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid

2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid (PubChem CID 63330527) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
PubChem CID63330527
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O3/c1-8(2)16(6-10(17)18)11(19)12-5-4-9-14-13-7-15(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyHBXZNLDVHRNWOB-UHFFFAOYSA-N
XLogP-0.14
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]propanoic acid
CID 63330860
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62119078
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
(2S)-3-hydroxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 63330039
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
2-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 79801536
(2R)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339530
(2S)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid (CID 63330527) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)NCCc1nncn1C.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is HBXZNLDVHRNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8(2)16(6-10(17)18)11(19)12-5-4-9-14-13-7-15(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18).
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 63330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).