3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid

C10H15N5O4 — CID 117097881

IUPAC3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(=O)CCn1nnnc1CC(=O)NCCC(=O)O
InChIInChI=1S/C10H15N5O4/c1-7(16)3-5-15-8(12-13-14-15)6-9(17)11-4-2-10(18)19/h2-6H2,1H3,(H,11,17)(H,18,19)
InChIKeyNBPBMKLTFJYPIZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.21
Rot. Bonds8

About 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid

3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid (PubChem CID 117097881) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
PubChem CID117097881
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(=O)CCn1nnnc1CC(=O)NCCC(=O)O
InChIInChI=1S/C10H15N5O4/c1-7(16)3-5-15-8(12-13-14-15)6-9(17)11-4-2-10(18)19/h2-6H2,1H3,(H,11,17)(H,18,19)
InChIKeyNBPBMKLTFJYPIZ-UHFFFAOYSA-N
XLogP-1.21
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-[1-(cyanomethyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097861
3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
CID 117097862
2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
CID 117097804
2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097846
N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
2-[[2-[1-(3-ethoxy-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097826
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
3-[1-(2-methylprop-2-enyl)tetrazol-5-yl]propanoic acid
CID 84758869

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid (CID 117097881) is 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid is CC(=O)CCn1nnnc1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The InChIKey is NBPBMKLTFJYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-7(16)3-5-15-8(12-13-14-15)6-9(17)11-4-2-10(18)19/h2-6H2,1H3,(H,11,17)(H,18,19).
What are the key properties of 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 117097881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).