(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid

C11H19N5O3 — CID 114170932

IUPAC(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1nncn1CC)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-3-5-8(10(17)18)14-11(19)12-6-9-15-13-7-16(9)4-2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,12,14,19)/t8-/m1/s1
InChIKeyRIOZIWVVSZWUIZ-MRVPVSSYSA-N
MW269.30 g/mol
LogP0.35
Rot. Bonds7

About (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid

(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 114170932) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
PubChem CID114170932
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1nncn1CC)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-3-5-8(10(17)18)14-11(19)12-6-9-15-13-7-16(9)4-2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,12,14,19)/t8-/m1/s1
InChIKeyRIOZIWVVSZWUIZ-MRVPVSSYSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925
2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106303816
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 94351540
4-methylsulfonyl-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 62119239
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782
1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51122173
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 106303642
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
3-[ethyl-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106303745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid (CID 114170932) is (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCc1nncn1CC)C(=O)O.
What is the InChIKey of (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is RIOZIWVVSZWUIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-5-8(10(17)18)14-11(19)12-6-9-15-13-7-16(9)4-2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,12,14,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid?
(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 114170932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).