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

C10H17N5O3 — CID 64517516

IUPAC2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1nc(CN(C)C(=O)N(C)C(C)C(=O)O)n[nH]1
InChIInChI=1S/C10H17N5O3/c1-6(9(16)17)15(4)10(18)14(3)5-8-11-7(2)12-13-8/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13)
InChIKeyLEUYTHROQLIYLK-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.07
Rot. Bonds4

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

2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 64517516) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID64517516
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1nc(CN(C)C(=O)N(C)C(C)C(=O)O)n[nH]1
InChIInChI=1S/C10H17N5O3/c1-6(9(16)17)15(4)10(18)14(3)5-8-11-7(2)12-13-8/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13)
InChIKeyLEUYTHROQLIYLK-UHFFFAOYSA-N
XLogP0.07
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 80545123
(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
CID 64517863
(2S)-4-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 64519063
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864
(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830936
3-tert-butyl-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 64512274
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 64518291
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]benzoic acid
CID 64512373
1-(2,2-difluoroethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 114609911
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 64511025
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 64510059

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid (CID 64517516) is 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid is Cc1nc(CN(C)C(=O)N(C)C(C)C(=O)O)n[nH]1.
What is the InChIKey of 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is LEUYTHROQLIYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-6(9(16)17)15(4)10(18)14(3)5-8-11-7(2)12-13-8/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13).
What are the key properties of 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid?
2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 255.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 64517516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).