2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid

C12H23NO2 — CID 103565425

IUPAC2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CC(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-10(13)12(7-11(14)15)5-9(6-12)8(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyGVOIGHKIXWTXIP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid

2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid (PubChem CID 103565425) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
PubChem CID103565425
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CC(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-10(13)12(7-11(14)15)5-9(6-12)8(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyGVOIGHKIXWTXIP-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
CID 106824660
2-[1-(1-aminopropyl)-3-ethylcyclopentyl]acetic acid
CID 66096901
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
CID 66097341
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
CID 142945921
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
CID 66097102
2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372
2-(1-butan-2-ylcyclohexyl)acetic acid
CID 83819034
ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
CID 103564897

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid (CID 103565425) is 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid is CCC(N)C1(CC(=O)O)CC(C(C)C)C1.
What is the InChIKey of 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid?
The InChIKey is GVOIGHKIXWTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10(13)12(7-11(14)15)5-9(6-12)8(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid?
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid is sourced from PubChem (CID 103565425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).