2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid

C11H21NO2 — CID 66045977

IUPAC2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
SMILESC=C(CC)CN(CC(=O)O)C(C)CC
InChIInChI=1S/C11H21NO2/c1-5-9(3)7-12(8-11(13)14)10(4)6-2/h10H,3,5-8H2,1-2,4H3,(H,13,14)
InChIKeyKONGTPTUDOIJJX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.14
Rot. Bonds7

About 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid

2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid (PubChem CID 66045977) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
PubChem CID66045977
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
SMILESC=C(CC)CN(CC(=O)O)C(C)CC
InChIInChI=1S/C11H21NO2/c1-5-9(3)7-12(8-11(13)14)10(4)6-2/h10H,3,5-8H2,1-2,4H3,(H,13,14)
InChIKeyKONGTPTUDOIJJX-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.14
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

2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[2-methylidenebutyl(propyl)amino]acetic acid
CID 66046219
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid (CID 66045977) is 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid is C=C(CC)CN(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid?
The InChIKey is KONGTPTUDOIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9(3)7-12(8-11(13)14)10(4)6-2/h10H,3,5-8H2,1-2,4H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid?
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid is sourced from PubChem (CID 66045977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).