2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid

C15H30N2O3 — CID 65224044

IUPAC2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCC(CCN)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-5-13(15(19)20)10-17-14(18)7-6-12(8-9-16)11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDEALISDULGLACJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds11

About 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid

2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid (PubChem CID 65224044) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
PubChem CID65224044
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCC(CCN)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-5-13(15(19)20)10-17-14(18)7-6-12(8-9-16)11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDEALISDULGLACJ-UHFFFAOYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid (CID 65224044) is 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)CCC(CCN)C(C)C)C(=O)O.
What is the InChIKey of 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid?
The InChIKey is DEALISDULGLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-5-13(15(19)20)10-17-14(18)7-6-12(8-9-16)11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid?
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.00, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).