1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 107068932

IUPAC1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCC(C)NCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(3)14-8-11(16)15-7-5-6-9(2)12(15)13(17)18/h9-10,12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyQRDQHEVLQYZPGE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107068932) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107068932
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCC(C)NCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(3)14-8-11(16)15-7-5-6-9(2)12(15)13(17)18/h9-10,12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyQRDQHEVLQYZPGE-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069679
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068723
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-methyl-1-(1-methylsulfinylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071891
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 107068932) is 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid is CCC(C)NCC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is QRDQHEVLQYZPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(3)14-8-11(16)15-7-5-6-9(2)12(15)13(17)18/h9-10,12,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107068932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).