2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid

C13H27NO2 — CID 65063808

IUPAC2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCC(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)6-7-12(5)14(8-11(3)4)9-13(15)16/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyNPWMNDOZPPOBER-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.85
Rot. Bonds8

About 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid

2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid (PubChem CID 65063808) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
PubChem CID65063808
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCC(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)6-7-12(5)14(8-11(3)4)9-13(15)16/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyNPWMNDOZPPOBER-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
CID 62213823
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-5-methylhexyl]amino]acetic acid
CID 134372222
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339
2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839298
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760

Frequently Asked Questions

What is the IUPAC name of 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid (CID 65063808) is 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid is CC(C)CCC(C)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid?
The InChIKey is NPWMNDOZPPOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)6-7-12(5)14(8-11(3)4)9-13(15)16/h10-12H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid?
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid has a molecular weight of 229.36 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).