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

C11H20N2O4 — CID 107835108

IUPAC(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-8-3-6-13(7-4-8)11(17)12-5-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyCWLICSGYFAGINV-VIFPVBQESA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds4

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

(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107835108) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107835108
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-8-3-6-13(7-4-8)11(17)12-5-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyCWLICSGYFAGINV-VIFPVBQESA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 107835108) is (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is CC1CCN(C(=O)NCC[C@H](O)C(=O)O)CC1.
What is the InChIKey of (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is CWLICSGYFAGINV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-3-6-13(7-4-8)11(17)12-5-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107835108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).