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

C10H21NO2 — CID 60835163

IUPAC2-[butan-2-yl(2-methylpropyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(4)11(6-8(2)3)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeySWGJRHORAXLJRW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds6

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

2-[butan-2-yl(2-methylpropyl)amino]acetic acid (PubChem CID 60835163) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-methylpropyl)amino]acetic acid
PubChem CID60835163
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[butan-2-yl(2-methylpropyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(4)11(6-8(2)3)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeySWGJRHORAXLJRW-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
CID 66045977
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
CID 62213823

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-methylpropyl)amino]acetic acid (CID 60835163) is 2-[butan-2-yl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-methylpropyl)amino]acetic acid is CCC(C)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[butan-2-yl(2-methylpropyl)amino]acetic acid?
The InChIKey is SWGJRHORAXLJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(4)11(6-8(2)3)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[butan-2-yl(2-methylpropyl)amino]acetic acid?
2-[butan-2-yl(2-methylpropyl)amino]acetic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 6 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-methylpropyl)amino]acetic acid is sourced from PubChem (CID 60835163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).