1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid

C13H24N2O3 — CID 43440972

IUPAC1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
SMILESCCC(C)NC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)10(3)15-8-6-5-7-11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLUKCSGWXUXVXCI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds5

About 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid

1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid (PubChem CID 43440972) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
PubChem CID43440972
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
SMILESCCC(C)NC(=O)C(C)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)10(3)15-8-6-5-7-11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLUKCSGWXUXVXCI-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetylpiperidin-1-yl)-N-butan-2-ylpropanamide
CID 63844811
4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
CID 82906329
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684

Frequently Asked Questions

What is the IUPAC name of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid (CID 43440972) is 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid is CCC(C)NC(=O)C(C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
The InChIKey is LUKCSGWXUXVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)10(3)15-8-6-5-7-11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid?
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43440972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).