(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid

C14H21N3O6 — CID 135605579

IUPAC(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid
SMILESNCC(=O)N1CCCC12CCN([C@H](CCC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C14H21N3O6/c15-8-10(18)17-6-1-4-14(17)5-7-16(13(14)23)9(12(21)22)2-3-11(19)20/h9H,1-8,15H2,(H,19,20)(H,21,22)/t9-,14?/m1/s1
InChIKeyGIYYTASZRRGWCP-UCWRFOARSA-N
MW327.34 g/mol
LogP-1.14
Rot. Bonds6

About (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid

(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid (PubChem CID 135605579) has the molecular formula C14H21N3O6 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid
PubChem CID135605579
Molecular FormulaC14H21N3O6
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC Name(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid
SMILESNCC(=O)N1CCCC12CCN([C@H](CCC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C14H21N3O6/c15-8-10(18)17-6-1-4-14(17)5-7-16(13(14)23)9(12(21)22)2-3-11(19)20/h9H,1-8,15H2,(H,19,20)(H,21,22)/t9-,14?/m1/s1
InChIKeyGIYYTASZRRGWCP-UCWRFOARSA-N
XLogP-1.14
TPSA141.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide
CID 167163716
(2S)-2-[[(2R)-1-(2-aminoacetyl)-2-benzylpyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 11632533
(2S)-2-[3-[(1S)-4-amino-1-carboxy-4-oxobutyl]-2-oxoimidazolidin-1-yl]pentanedioic acid
CID 126702607
2-[4,7-bis(1,3-dicarboxypropyl)-1,4,7-triazonan-1-yl]pentanedioic acid
CID 102518327
2-[[1-(2-aminoacetyl)-2-benzylpyrrolidine-2-carbonyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CID 15948954
1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632415
(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
CID 162479525
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
CID 68682826
tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid?
The IUPAC name of (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid (CID 135605579) is (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid.
What is the SMILES notation for (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid?
The canonical SMILES for (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid is NCC(=O)N1CCCC12CCN([C@H](CCC(=O)O)C(=O)O)C2=O.
What is the InChIKey of (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid?
The InChIKey is GIYYTASZRRGWCP-UCWRFOARSA-N. The full InChI is InChI=1S/C14H21N3O6/c15-8-10(18)17-6-1-4-14(17)5-7-16(13(14)23)9(12(21)22)2-3-11(19)20/h9H,1-8,15H2,(H,19,20)(H,21,22)/t9-,14?/m1/s1.
What are the key properties of (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid?
(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid has a molecular weight of 327.34 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid is sourced from PubChem (CID 135605579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).