1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H29NO3 — CID 60662129

IUPAC1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)CC1(C(=O)O)CCCC1)C(C)CC
InChIInChI=1S/C16H29NO3/c1-4-6-11-17(13(3)5-2)14(18)12-16(15(19)20)9-7-8-10-16/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyJFZDMLFXKQTRAD-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.45
Rot. Bonds8

About 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60662129) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60662129
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)CC1(C(=O)O)CCCC1)C(C)CC
InChIInChI=1S/C16H29NO3/c1-4-6-11-17(13(3)5-2)14(18)12-16(15(19)20)9-7-8-10-16/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyJFZDMLFXKQTRAD-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60662129) is 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCCCN(C(=O)CC1(C(=O)O)CCCC1)C(C)CC.
What is the InChIKey of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is JFZDMLFXKQTRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-6-11-17(13(3)5-2)14(18)12-16(15(19)20)9-7-8-10-16/h13H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60662129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).