2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid

C14H27N3O3 — CID 115430439

IUPAC2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-3-14(4-2,13(19)20)10-16-12(18)9-17-7-5-11(15)6-8-17/h11H,3-10,15H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySZGNHHDIKPEYIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.42
Rot. Bonds7

About 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid

2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430439) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID115430439
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-3-14(4-2,13(19)20)10-16-12(18)9-17-7-5-11(15)6-8-17/h11H,3-10,15H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySZGNHHDIKPEYIQ-UHFFFAOYSA-N
XLogP0.42
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Neopentyl-3-oxo-2-piperazinyl)acetic acid
CID 2997175
1-(2-Aminopropanoyl)piperidine-4-carboxylic acid
CID 21892260
[3-Methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamic acid
CID 22016533
1-(2-Aminobutanoyl)piperidine-4-carboxylic acid
CID 22086240
1-[2-(2-Methylpropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 22322457
1-[2-Oxo-2-(propylamino)ethyl]piperidine-4-carboxylic acid
CID 22322461
1-[(Butylcarbamoyl)methyl]piperidine-4-carboxylic acid
CID 22322736
(3,3-Dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)carbamic acid
CID 22594038
1-{[(Propan-2-yl)carbamoyl]methyl}piperidine-4-carboxylic acid
CID 39247333
(2S)-3-methyl-2-[(2-piperidin-1-ylacetyl)amino]butanoic acid
CID 39259498
2-Tert-butyl-3-oxopiperazine-1-carboxylic acid
CID 53434927
5-Butan-2-yl-6-oxopiperazine-2-carboxylic acid
CID 59008373

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid (CID 115430439) is 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)CN1CCC(N)CC1)C(=O)O.
What is the InChIKey of 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is SZGNHHDIKPEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-14(4-2,13(19)20)10-16-12(18)9-17-7-5-11(15)6-8-17/h11H,3-10,15H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 285.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).