2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid

C11H20N2O5 — CID 81115148

IUPAC2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CCC(C)(O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(17)3-5-13(6-4-11)10(16)12-8(7-18-2)9(14)15/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXOZANVGRFNVYRN-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

About 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 81115148) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID81115148
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CCC(C)(O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(17)3-5-13(6-4-11)10(16)12-8(7-18-2)9(14)15/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXOZANVGRFNVYRN-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
3-methoxy-2-(1,4-thiazepane-4-carbonylamino)propanoic acid
CID 81084619
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid (CID 81115148) is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)N1CCC(C)(O)CC1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is XOZANVGRFNVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(17)3-5-13(6-4-11)10(16)12-8(7-18-2)9(14)15/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid?
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 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]-3-methoxypropanoic acid is sourced from PubChem (CID 81115148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).