2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid

C9H17N3O2 — CID 163812899

IUPAC2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
SMILESNN1CCC2(CCN(CC(=O)O)C2)C1
InChIInChI=1S/C9H17N3O2/c10-12-4-2-9(7-12)1-3-11(6-9)5-8(13)14/h1-7,10H2,(H,13,14)
InChIKeyNOUSMPHPOSIVAA-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.66
Rot. Bonds2

About 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid

2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid (PubChem CID 163812899) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
PubChem CID163812899
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
SMILESNN1CCC2(CCN(CC(=O)O)C2)C1
InChIInChI=1S/C9H17N3O2/c10-12-4-2-9(7-12)1-3-11(6-9)5-8(13)14/h1-7,10H2,(H,13,14)
InChIKeyNOUSMPHPOSIVAA-UHFFFAOYSA-N
XLogP-0.66
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460683
2-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460684
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
2-(2-azaspiro[4.4]nonan-2-ylmethyl)prop-2-enoic acid
CID 130516454
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
[2-(aminomethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanamine
CID 156523812
2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
CID 84612005
2-(3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 131656083
2-(4,4-dimethylpiperazin-4-ium-1-yl)acetic acid
CID 11630800
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The IUPAC name of 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid (CID 163812899) is 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The canonical SMILES for 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid is NN1CCC2(CCN(CC(=O)O)C2)C1.
What is the InChIKey of 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The InChIKey is NOUSMPHPOSIVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-12-4-2-9(7-12)1-3-11(6-9)5-8(13)14/h1-7,10H2,(H,13,14).
What are the key properties of 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid has a molecular weight of 199.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid is sourced from PubChem (CID 163812899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).