(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid

C12H20N2O5 — CID 62676165

IUPAC(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCNC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c15-10(6-8-2-1-5-13-7-8)14-9(12(18)19)3-4-11(16)17/h8-9,13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1
InChIKeyQGJAQOSFHINIQE-GKAPJAKFSA-N
MW272.30 g/mol
LogP-0.19
Rot. Bonds7

About (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid

(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid (PubChem CID 62676165) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
PubChem CID62676165
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCNC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c15-10(6-8-2-1-5-13-7-8)14-9(12(18)19)3-4-11(16)17/h8-9,13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1
InChIKeyQGJAQOSFHINIQE-GKAPJAKFSA-N
XLogP-0.19
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid (CID 62676165) is (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)CC1CCCNC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid?
The InChIKey is QGJAQOSFHINIQE-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-10(6-8-2-1-5-13-7-8)14-9(12(18)19)3-4-11(16)17/h8-9,13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid?
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid has a molecular weight of 272.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid is sourced from PubChem (CID 62676165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).