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

C9H14N6O4 — CID 117097847

IUPAC2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nnnn1C(C)C(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-4(9(18)19)11-7(16)3-6-12-13-14-15(6)5(2)8(10)17/h4-5H,3H2,1-2H3,(H2,10,17)(H,11,16)(H,18,19)
InChIKeySFVGJPWXTLWCQF-UHFFFAOYSA-N
MW270.25 g/mol
LogP-2.15
Rot. Bonds6

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

2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid (PubChem CID 117097847) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid
PubChem CID117097847
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nnnn1C(C)C(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-4(9(18)19)11-7(16)3-6-12-13-14-15(6)5(2)8(10)17/h4-5H,3H2,1-2H3,(H2,10,17)(H,11,16)(H,18,19)
InChIKeySFVGJPWXTLWCQF-UHFFFAOYSA-N
XLogP-2.15
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[1-(3-amino-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097846
2-[[2-[1-(3-ethoxy-3-oxopropyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097826
2-[[2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097838
2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
CID 66041782
3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
CID 117097862
2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
CID 66041379
(2S)-2-[[2-(4-acetylphenyl)acetyl]amino]propanoic acid
CID 119943006
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66042380
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid (CID 117097847) is 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid is CC(NC(=O)Cc1nnnn1C(C)C(N)=O)C(=O)O.
What is the InChIKey of 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid?
The InChIKey is SFVGJPWXTLWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-4(9(18)19)11-7(16)3-6-12-13-14-15(6)5(2)8(10)17/h4-5H,3H2,1-2H3,(H2,10,17)(H,11,16)(H,18,19).
What are the key properties of 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid?
2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid has a molecular weight of 270.25 g/mol, XLogP of -2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 117097847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).