(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid

C12H20N2O5 — CID 107067933

IUPAC(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
SMILESCC1CCCNC1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-3-2-6-13-10(7)11(17)14-8(12(18)19)4-5-9(15)16/h7-8,10,13H,2-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8-,10?/m0/s1
InChIKeyUDUKJZOSRUHSLA-ZCUBBSJVSA-N
MW272.30 g/mol
LogP-0.19
Rot. Bonds6

About (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid

(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid (PubChem CID 107067933) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
PubChem CID107067933
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
SMILESCC1CCCNC1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-3-2-6-13-10(7)11(17)14-8(12(18)19)4-5-9(15)16/h7-8,10,13H,2-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8-,10?/m0/s1
InChIKeyUDUKJZOSRUHSLA-ZCUBBSJVSA-N
XLogP-0.19
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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

(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 107068233
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
5-(1-carboxyethylamino)-5-oxo-4-(pyrrolidine-2-carbonylamino)pentanoic acid
CID 18223514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid (CID 107067933) is (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid is CC1CCCNC1C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid?
The InChIKey is UDUKJZOSRUHSLA-ZCUBBSJVSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-3-2-6-13-10(7)11(17)14-8(12(18)19)4-5-9(15)16/h7-8,10,13H,2-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8-,10?/m0/s1.
What are the key properties of (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid?
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid has a molecular weight of 272.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 107067933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).