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

C12H22N2O4 — CID 114679498

IUPAC4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CCC(O)C(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(11(16)17)3-5-13-12(18)14-6-4-10(15)9(2)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYGIDZHMBHKFVSF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds4

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

4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 114679498) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID114679498
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CCC(O)C(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(11(16)17)3-5-13-12(18)14-6-4-10(15)9(2)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYGIDZHMBHKFVSF-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)butanoic acid
CID 80541178
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
(2S)-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 104940992
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 114679498) is 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)N1CCC(O)C(C)C1)C(=O)O.
What is the InChIKey of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is YGIDZHMBHKFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(11(16)17)3-5-13-12(18)14-6-4-10(15)9(2)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114679498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).