5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid

C9H14N4O3 — CID 115348185

IUPAC5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H14N4O3/c14-8(7-13-6-5-11-12-13)10-4-2-1-3-9(15)16/h5-6H,1-4,7H2,(H,10,14)(H,15,16)
InChIKeyDWSDHTXJWWRSFJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.35
Rot. Bonds7

About 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid

5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 115348185) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID115348185
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H14N4O3/c14-8(7-13-6-5-11-12-13)10-4-2-1-3-9(15)16/h5-6H,1-4,7H2,(H,10,14)(H,15,16)
InChIKeyDWSDHTXJWWRSFJ-UHFFFAOYSA-N
XLogP-0.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
17-(triazol-1-yl)heptadecanoic acid
CID 69480410
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 114226874
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
4-[methyl-[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81456321
propanoic acid;4-(triazol-1-yl)butanoic acid
CID 175246516
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid (CID 115348185) is 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)Cn1ccnn1.
What is the InChIKey of 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is DWSDHTXJWWRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-8(7-13-6-5-11-12-13)10-4-2-1-3-9(15)16/h5-6H,1-4,7H2,(H,10,14)(H,15,16).
What are the key properties of 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid?
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 115348185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).