5-(propan-2-ylamino)hexanoic acid

C9H19NO2 — CID 82848277

IUPAC5-(propan-2-ylamino)hexanoic acid
SMILESCC(C)NC(C)CCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)10-8(3)5-4-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyUYZZRUSYVNIHDR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds6

About 5-(propan-2-ylamino)hexanoic acid

5-(propan-2-ylamino)hexanoic acid (PubChem CID 82848277) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(propan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name5-(propan-2-ylamino)hexanoic acid
PubChem CID82848277
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-(propan-2-ylamino)hexanoic acid
SMILESCC(C)NC(C)CCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)10-8(3)5-4-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyUYZZRUSYVNIHDR-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
16-methylheptadecanoic acid;N-propan-2-ylpropan-2-amine
CID 175713444
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
oxalic acid;N-propan-2-ylpentan-2-amine
CID 175913447
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)hexanoic acid?
The IUPAC name of 5-(propan-2-ylamino)hexanoic acid (CID 82848277) is 5-(propan-2-ylamino)hexanoic acid.
What is the SMILES notation for 5-(propan-2-ylamino)hexanoic acid?
The canonical SMILES for 5-(propan-2-ylamino)hexanoic acid is CC(C)NC(C)CCCC(=O)O.
What is the InChIKey of 5-(propan-2-ylamino)hexanoic acid?
The InChIKey is UYZZRUSYVNIHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-8(3)5-4-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-(propan-2-ylamino)hexanoic acid?
5-(propan-2-ylamino)hexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)hexanoic acid is sourced from PubChem (CID 82848277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).