5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid

C11H18N6O4 — CID 62119604

IUPAC5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)NC(CCC(N)=O)C(=O)O)c1nncn1C
InChIInChI=1S/C11H18N6O4/c1-6(9-16-13-5-17(9)2)14-11(21)15-7(10(19)20)3-4-8(12)18/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,19,20)(H2,14,15,21)
InChIKeyRZRXSOWKCGDOCZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.11
Rot. Bonds7

About 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid

5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 62119604) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
PubChem CID62119604
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)NC(CCC(N)=O)C(=O)O)c1nncn1C
InChIInChI=1S/C11H18N6O4/c1-6(9-16-13-5-17(9)2)14-11(21)15-7(10(19)20)3-4-8(12)18/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,19,20)(H2,14,15,21)
InChIKeyRZRXSOWKCGDOCZ-UHFFFAOYSA-N
XLogP-1.11
TPSA152.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 99640495
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 82847987
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103248684
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 62119598
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95192101

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (CID 62119604) is 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is CC(NC(=O)NC(CCC(N)=O)C(=O)O)c1nncn1C.
What is the InChIKey of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is RZRXSOWKCGDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-6(9-16-13-5-17(9)2)14-11(21)15-7(10(19)20)3-4-8(12)18/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,19,20)(H2,14,15,21).
What are the key properties of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 298.30 g/mol, XLogP of -1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 62119604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).