4-amino-2-[cyclopropyl(methyl)amino]butanoic acid

C8H16N2O2 — CID 64692953

IUPAC4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
SMILESCN(C1CC1)C(CCN)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-10(6-2-3-6)7(4-5-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyFJMDIMRPPIIKEV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.12
Rot. Bonds5

About 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid

4-amino-2-[cyclopropyl(methyl)amino]butanoic acid (PubChem CID 64692953) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
PubChem CID64692953
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
SMILESCN(C1CC1)C(CCN)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-10(6-2-3-6)7(4-5-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyFJMDIMRPPIIKEV-UHFFFAOYSA-N
XLogP-0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid (CID 64692953) is 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid is CN(C1CC1)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid?
The InChIKey is FJMDIMRPPIIKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(6-2-3-6)7(4-5-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid?
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[cyclopropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 64692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).