5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid

C12H23NO3 — CID 62965888

IUPAC5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)N(CC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-5-10(4)13(6-2)11(14)7-9(3)8-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyKNLSZDGBNPXWJO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.13
Rot. Bonds7

About 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid

5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965888) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965888
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)N(CC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-5-10(4)13(6-2)11(14)7-9(3)8-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyKNLSZDGBNPXWJO-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
3-methyl-5-oxo-5-[pentan-3-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 62965772
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
CID 175776625
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
N-butan-2-yl-N-ethylcarbamoyl bromide
CID 140982150
(2S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197208
(2S,3S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61199474

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62965888) is 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid is CCC(C)N(CC)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is KNLSZDGBNPXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-10(4)13(6-2)11(14)7-9(3)8-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).