2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid

C9H17NO2 — CID 103565035

IUPAC2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
SMILESCC(C)C1CC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)7-3-9(10,4-7)5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyNBRWCZGQDLJNGM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds3

About 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid

2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid (PubChem CID 103565035) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
PubChem CID103565035
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
SMILESCC(C)C1CC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)7-3-9(10,4-7)5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyNBRWCZGQDLJNGM-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid?
The IUPAC name of 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid (CID 103565035) is 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid.
What is the SMILES notation for 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid?
The canonical SMILES for 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid is CC(C)C1CC(N)(CC(=O)O)C1.
What is the InChIKey of 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid?
The InChIKey is NBRWCZGQDLJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)7-3-9(10,4-7)5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid?
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid is sourced from PubChem (CID 103565035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).