3-amino-3-propylhexanoic acid

C9H19NO2 — CID 64665150

IUPAC3-amino-3-propylhexanoic acid
SMILESCCCC(N)(CCC)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-5-9(10,6-4-2)7-8(11)12/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyMRFXYHKQGIDWDR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-3-propylhexanoic acid

3-amino-3-propylhexanoic acid (PubChem CID 64665150) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-amino-3-propylhexanoic acid.

Molecular Properties

Compound Name3-amino-3-propylhexanoic acid
PubChem CID64665150
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-amino-3-propylhexanoic acid
SMILESCCCC(N)(CCC)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-5-9(10,6-4-2)7-8(11)12/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyMRFXYHKQGIDWDR-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
(E)-but-2-enedioic acid;4-propylheptan-4-amine
CID 162334092
3,5-diamino-3,5-bis(carboxymethyl)heptanedioic acid
CID 11162546
3-(aminomethyl)-3-propylhexanoic acid
CID 66096632
3-ethyl-3-propylhexanoic acid
CID 174620976
3-amino-3-methylheptanoic acid
CID 53262232
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane
CID 87500546
(2S)-2-amino-2-(sulfanylmethyl)pentanoic acid
CID 87814836
3-ethyl-3-hydroxypentanoic acid
CID 11513768
azane;3-ethylhexan-3-amine
CID 18676269
2-amino-2-propylpentane-1-sulfonic acid
CID 91619632

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-propylhexanoic acid?
The IUPAC name of 3-amino-3-propylhexanoic acid (CID 64665150) is 3-amino-3-propylhexanoic acid.
What is the SMILES notation for 3-amino-3-propylhexanoic acid?
The canonical SMILES for 3-amino-3-propylhexanoic acid is CCCC(N)(CCC)CC(=O)O.
What is the InChIKey of 3-amino-3-propylhexanoic acid?
The InChIKey is MRFXYHKQGIDWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-9(10,6-4-2)7-8(11)12/h3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-3-propylhexanoic acid?
3-amino-3-propylhexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propylhexanoic acid is sourced from PubChem (CID 64665150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).