2-[3-methylbutyl(propyl)amino]acetic acid

C10H21NO2 — CID 61008977

IUPAC2-[3-methylbutyl(propyl)amino]acetic acid
SMILESCCCN(CCC(C)C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-6-11(8-10(12)13)7-5-9(2)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyKAWIFGVOCHDZEV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

About 2-[3-methylbutyl(propyl)amino]acetic acid

2-[3-methylbutyl(propyl)amino]acetic acid (PubChem CID 61008977) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[3-methylbutyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methylbutyl(propyl)amino]acetic acid
PubChem CID61008977
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[3-methylbutyl(propyl)amino]acetic acid
SMILESCCCN(CCC(C)C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-6-11(8-10(12)13)7-5-9(2)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyKAWIFGVOCHDZEV-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
1-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870488
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
2-[propyl(undecyl)amino]acetic acid
CID 146831092
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-5-methylhexyl]amino]acetic acid
CID 134372222

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(propyl)amino]acetic acid?
The IUPAC name of 2-[3-methylbutyl(propyl)amino]acetic acid (CID 61008977) is 2-[3-methylbutyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[3-methylbutyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[3-methylbutyl(propyl)amino]acetic acid is CCCN(CCC(C)C)CC(=O)O.
What is the InChIKey of 2-[3-methylbutyl(propyl)amino]acetic acid?
The InChIKey is KAWIFGVOCHDZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-11(8-10(12)13)7-5-9(2)3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-methylbutyl(propyl)amino]acetic acid?
2-[3-methylbutyl(propyl)amino]acetic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(propyl)amino]acetic acid is sourced from PubChem (CID 61008977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).