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

C9H14N6O4 — CID 117097846

IUPAC2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nnnn1CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-5(9(18)19)11-8(17)4-7-12-13-14-15(7)3-2-6(10)16/h5H,2-4H2,1H3,(H2,10,16)(H,11,17)(H,18,19)
InChIKeyUBNDTCFVSGDRSG-UHFFFAOYSA-N
MW270.25 g/mol
LogP-2.32
Rot. Bonds7

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

2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid (PubChem CID 117097846) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
PubChem CID117097846
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nnnn1CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-5(9(18)19)11-8(17)4-7-12-13-14-15(7)3-2-6(10)16/h5H,2-4H2,1H3,(H2,10,16)(H,11,17)(H,18,19)
InChIKeyUBNDTCFVSGDRSG-UHFFFAOYSA-N
XLogP-2.32
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[1-(3-ethoxy-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097826
2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097847
2-[[2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097838
3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097881
2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
CID 117097804
2-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 80541591
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 86908514
4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541224
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541593

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid (CID 117097846) is 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid is CC(NC(=O)Cc1nnnn1CCC(N)=O)C(=O)O.
What is the InChIKey of 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The InChIKey is UBNDTCFVSGDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-5(9(18)19)11-8(17)4-7-12-13-14-15(7)3-2-6(10)16/h5H,2-4H2,1H3,(H2,10,16)(H,11,17)(H,18,19).
What are the key properties of 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid?
2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid has a molecular weight of 270.25 g/mol, XLogP of -2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 117097846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).