2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid

C12H20N2O6 — CID 81115043

IUPAC2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
SMILESCC1(O)CCN(C(=O)NC(CCC(=O)O)C(=O)O)CC1
InChIInChI=1S/C12H20N2O6/c1-12(20)4-6-14(7-5-12)11(19)13-8(10(17)18)2-3-9(15)16/h8,20H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyINMWWNNQJJKNRV-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.14
Rot. Bonds5

About 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid (PubChem CID 81115043) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
PubChem CID81115043
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
SMILESCC1(O)CCN(C(=O)NC(CCC(=O)O)C(=O)O)CC1
InChIInChI=1S/C12H20N2O6/c1-12(20)4-6-14(7-5-12)11(19)13-8(10(17)18)2-3-9(15)16/h8,20H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyINMWWNNQJJKNRV-UHFFFAOYSA-N
XLogP-0.14
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanedioic acid
CID 61193503
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid (CID 81115043) is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid is CC1(O)CCN(C(=O)NC(CCC(=O)O)C(=O)O)CC1.
What is the InChIKey of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The InChIKey is INMWWNNQJJKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-12(20)4-6-14(7-5-12)11(19)13-8(10(17)18)2-3-9(15)16/h8,20H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid has a molecular weight of 288.30 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 81115043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).