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

C11H20N2O4 — CID 114006844

IUPAC2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)NCCC(O)C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-6-3-8(14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyRACMBBZSXBHRSH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds5

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

2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 114006844) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID114006844
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)NCCC(O)C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-6-3-8(14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyRACMBBZSXBHRSH-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid (CID 114006844) is 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid is CC1(C(=O)NCCC(O)C(=O)O)CCCNC1.
What is the InChIKey of 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is RACMBBZSXBHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-6-3-8(14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114006844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).