1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid

C14H26N2O4 — CID 106178157

IUPAC1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(C)(CCO)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-14(2,6-9-17)15-10-12(18)16-7-4-11(5-8-16)13(19)20/h11,15,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyBLWFFCIZZMXPIN-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.45
Rot. Bonds7

About 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 106178157) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID106178157
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(C)(CCO)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-14(2,6-9-17)15-10-12(18)16-7-4-11(5-8-16)13(19)20/h11,15,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyBLWFFCIZZMXPIN-UHFFFAOYSA-N
XLogP0.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
1-[2-(2-methylbut-3-yn-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103252086
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 154756020
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid (CID 106178157) is 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid is CCC(C)(CCO)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is BLWFFCIZZMXPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-14(2,6-9-17)15-10-12(18)16-7-4-11(5-8-16)13(19)20/h11,15,17H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106178157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).