2-[(2-ethylhexanoylamino)methyl]pentanoic acid

C14H27NO3 — CID 65218605

IUPAC2-[(2-ethylhexanoylamino)methyl]pentanoic acid
SMILESCCCCC(CC)C(=O)NCC(CCC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-7-9-11(6-3)13(16)15-10-12(8-5-2)14(17)18/h11-12H,4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGJWFUCOZTJMZOU-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.82
Rot. Bonds10

About 2-[(2-ethylhexanoylamino)methyl]pentanoic acid

2-[(2-ethylhexanoylamino)methyl]pentanoic acid (PubChem CID 65218605) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(2-ethylhexanoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-ethylhexanoylamino)methyl]pentanoic acid
PubChem CID65218605
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(2-ethylhexanoylamino)methyl]pentanoic acid
SMILESCCCCC(CC)C(=O)NCC(CCC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-7-9-11(6-3)13(16)15-10-12(8-5-2)14(17)18/h11-12H,4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGJWFUCOZTJMZOU-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-ethyl-N-pentylhexanamide
CID 5123867
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-ethylhexanoic acid;palladium(2+)
CID 18629949
phosphane;2-propylhexanoic acid
CID 87429538
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
λ2-stannane;2-propylhexanoic acid
CID 174232814
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylhexanoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-ethylhexanoylamino)methyl]pentanoic acid (CID 65218605) is 2-[(2-ethylhexanoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-ethylhexanoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-ethylhexanoylamino)methyl]pentanoic acid is CCCCC(CC)C(=O)NCC(CCC)C(=O)O.
What is the InChIKey of 2-[(2-ethylhexanoylamino)methyl]pentanoic acid?
The InChIKey is GJWFUCOZTJMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-7-9-11(6-3)13(16)15-10-12(8-5-2)14(17)18/h11-12H,4-10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-ethylhexanoylamino)methyl]pentanoic acid?
2-[(2-ethylhexanoylamino)methyl]pentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylhexanoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65218605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).