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

C11H20N2O4 — CID 107825163

IUPAC(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)N[C@H](CCO)C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-8(3-6-14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16)/t8-,11?/m1/s1
InChIKeyUALNSMYQKMOULG-RZZZFEHKSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds5

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

(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 107825163) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID107825163
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)N[C@H](CCO)C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-8(3-6-14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16)/t8-,11?/m1/s1
InChIKeyUALNSMYQKMOULG-RZZZFEHKSA-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

N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 110012454
2-[(3-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 63141860
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63141298
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 103870373
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid (CID 107825163) is (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid is CC1(C(=O)N[C@H](CCO)C(=O)O)CCCNC1.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is UALNSMYQKMOULG-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(4-2-5-12-7-11)10(17)13-8(3-6-14)9(15)16/h8,12,14H,2-7H2,1H3,(H,13,17)(H,15,16)/t8-,11?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(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 (2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107825163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).