3-[ethyl(2-propylpentanoyl)amino]butanoic acid

C14H27NO3 — CID 82984536

IUPAC3-[ethyl(2-propylpentanoyl)amino]butanoic acid
SMILESCCCC(CCC)C(=O)N(CC)C(C)CC(=O)O
InChIInChI=1S/C14H27NO3/c1-5-8-12(9-6-2)14(18)15(7-3)11(4)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyDDCSNPZSJQPUPE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.91
Rot. Bonds9

About 3-[ethyl(2-propylpentanoyl)amino]butanoic acid

3-[ethyl(2-propylpentanoyl)amino]butanoic acid (PubChem CID 82984536) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[ethyl(2-propylpentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-propylpentanoyl)amino]butanoic acid
PubChem CID82984536
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[ethyl(2-propylpentanoyl)amino]butanoic acid
SMILESCCCC(CCC)C(=O)N(CC)C(C)CC(=O)O
InChIInChI=1S/C14H27NO3/c1-5-8-12(9-6-2)14(18)15(7-3)11(4)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyDDCSNPZSJQPUPE-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-aminopropanoyl(ethyl)amino]butanoic acid
CID 62825878
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 55123096
(2S)-2-propylbutanedioic acid
CID 12648185
3-[ethyl(prop-2-ynoyl)amino]butanoic acid
CID 62821571
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
CID 62821555
3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 62826800
3-[4-aminobutanoyl(ethyl)amino]butanoic acid
CID 62826769
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
3-[ethyl(1-phenylbutyl)amino]butanoic acid
CID 65061148
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-propylpentanoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(2-propylpentanoyl)amino]butanoic acid (CID 82984536) is 3-[ethyl(2-propylpentanoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(2-propylpentanoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(2-propylpentanoyl)amino]butanoic acid is CCCC(CCC)C(=O)N(CC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(2-propylpentanoyl)amino]butanoic acid?
The InChIKey is DDCSNPZSJQPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-8-12(9-6-2)14(18)15(7-3)11(4)10-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[ethyl(2-propylpentanoyl)amino]butanoic acid?
3-[ethyl(2-propylpentanoyl)amino]butanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-propylpentanoyl)amino]butanoic acid is sourced from PubChem (CID 82984536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).