2-[2-methylidenebutyl(propyl)amino]acetic acid

C10H19NO2 — CID 66046219

IUPAC2-[2-methylidenebutyl(propyl)amino]acetic acid
SMILESC=C(CC)CN(CCC)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-4-6-11(8-10(12)13)7-9(3)5-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyNSKSKFDRNUJXPF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-methylidenebutyl(propyl)amino]acetic acid

2-[2-methylidenebutyl(propyl)amino]acetic acid (PubChem CID 66046219) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-methylidenebutyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylidenebutyl(propyl)amino]acetic acid
PubChem CID66046219
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[2-methylidenebutyl(propyl)amino]acetic acid
SMILESC=C(CC)CN(CCC)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-4-6-11(8-10(12)13)7-9(3)5-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyNSKSKFDRNUJXPF-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 158664985
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;formaldehyde
CID 87841123
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide
CID 90013601
CID 131881711
CID 131881711
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylidenebutyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-methylidenebutyl(propyl)amino]acetic acid (CID 66046219) is 2-[2-methylidenebutyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylidenebutyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylidenebutyl(propyl)amino]acetic acid is C=C(CC)CN(CCC)CC(=O)O.
What is the InChIKey of 2-[2-methylidenebutyl(propyl)amino]acetic acid?
The InChIKey is NSKSKFDRNUJXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-11(8-10(12)13)7-9(3)5-2/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-methylidenebutyl(propyl)amino]acetic acid?
2-[2-methylidenebutyl(propyl)amino]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylidenebutyl(propyl)amino]acetic acid is sourced from PubChem (CID 66046219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).