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

C11H18N6O4 — CID 107830936

IUPAC(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1
InChIInChI=1S/C11H18N6O4/c1-6-13-9(16-15-6)5-17(2)11(21)14-7(10(19)20)3-4-8(12)18/h7H,3-5H2,1-2H3,(H2,12,18)(H,14,21)(H,19,20)(H,13,15,16)/t7-/m1/s1
InChIKeyRLXRVGKXGGKHAI-SSDOTTSWSA-N
MW298.30 g/mol
LogP-1.03
Rot. Bonds7

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

(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107830936) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107830936
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1
InChIInChI=1S/C11H18N6O4/c1-6-13-9(16-15-6)5-17(2)11(21)14-7(10(19)20)3-4-8(12)18/h7H,3-5H2,1-2H3,(H2,12,18)(H,14,21)(H,19,20)(H,13,15,16)/t7-/m1/s1
InChIKeyRLXRVGKXGGKHAI-SSDOTTSWSA-N
XLogP-1.03
TPSA154.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 64519063
(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830779
(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
3-tert-butyl-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 64512274
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830585
3-amino-3-hydroxyimino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 77045913
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 64517516
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-hydroxy-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]guanidine
CID 77045933

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid (CID 107830936) is (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid is Cc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1.
What is the InChIKey of (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is RLXRVGKXGGKHAI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-6-13-9(16-15-6)5-17(2)11(21)14-7(10(19)20)3-4-8(12)18/h7H,3-5H2,1-2H3,(H2,12,18)(H,14,21)(H,19,20)(H,13,15,16)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 298.30 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).