2-(1-carboxypentylamino)hexanoic acid

C12H23NO4 — CID 22643835

IUPAC2-(1-carboxypentylamino)hexanoic acid
SMILESCCCCC(NC(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-5-7-9(11(14)15)13-10(12(16)17)8-6-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJGOTZEGHSPUFSN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.86
Rot. Bonds10

About 2-(1-carboxypentylamino)hexanoic acid

2-(1-carboxypentylamino)hexanoic acid (PubChem CID 22643835) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1-carboxypentylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1-carboxypentylamino)hexanoic acid
PubChem CID22643835
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(1-carboxypentylamino)hexanoic acid
SMILESCCCCC(NC(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-5-7-9(11(14)15)13-10(12(16)17)8-6-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJGOTZEGHSPUFSN-UHFFFAOYSA-N
XLogP1.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid
CID 103247599
2-(methoxyamino)hexanoic acid
CID 103254320
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-(dodecylamino)hexanoic acid
CID 139637216
calcium;hydride;2-methylhexanoic acid
CID 173227921

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxypentylamino)hexanoic acid?
The IUPAC name of 2-(1-carboxypentylamino)hexanoic acid (CID 22643835) is 2-(1-carboxypentylamino)hexanoic acid.
What is the SMILES notation for 2-(1-carboxypentylamino)hexanoic acid?
The canonical SMILES for 2-(1-carboxypentylamino)hexanoic acid is CCCCC(NC(CCCC)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxypentylamino)hexanoic acid?
The InChIKey is JGOTZEGHSPUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-5-7-9(11(14)15)13-10(12(16)17)8-6-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-carboxypentylamino)hexanoic acid?
2-(1-carboxypentylamino)hexanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.86, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxypentylamino)hexanoic acid is sourced from PubChem (CID 22643835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).