2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid

C12H22N2O4 — CID 61438947

IUPAC2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCCC(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)6-10(11(16)17)13-12(18)14-5-3-4-9(15)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQTQHETPHGZBSIA-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds4

About 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid

2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61438947) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61438947
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCCC(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)6-10(11(16)17)13-12(18)14-5-3-4-9(15)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQTQHETPHGZBSIA-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2S)-2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61439468
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 61438947) is 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)N1CCCC(O)C1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is QTQHETPHGZBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)6-10(11(16)17)13-12(18)14-5-3-4-9(15)7-14/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61438947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).