4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid

C11H20N2O4 — CID 80540824

IUPAC4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(10(15)16)2-5-12-11(17)13-6-3-9(14)4-7-13/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyABGGTSYLGAZEIA-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds4

About 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid

4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80540824) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80540824
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(10(15)16)2-5-12-11(17)13-6-3-9(14)4-7-13/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyABGGTSYLGAZEIA-UHFFFAOYSA-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

3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)butanoic acid
CID 80541178
5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686059
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80541063
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 80540824) is 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)N1CCC(O)CC1)C(=O)O.
What is the InChIKey of 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is ABGGTSYLGAZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(10(15)16)2-5-12-11(17)13-6-3-9(14)4-7-13/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic 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 4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).