(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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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).