2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid

C12H26N2O4 — CID 64709529

IUPAC2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
SMILESCOCCN(CCOC)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C12H26N2O4/c1-10(9-12(2,13)11(15)16)14(5-7-17-3)6-8-18-4/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyCPRKBSQRSVFAOD-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.16
Rot. Bonds10

About 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid

2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid (PubChem CID 64709529) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
PubChem CID64709529
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
SMILESCOCCN(CCOC)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C12H26N2O4/c1-10(9-12(2,13)11(15)16)14(5-7-17-3)6-8-18-4/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyCPRKBSQRSVFAOD-UHFFFAOYSA-N
XLogP0.16
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
CID 64710865
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64711225
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
CID 114989592
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid (CID 64709529) is 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid is COCCN(CCOC)C(C)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid?
The InChIKey is CPRKBSQRSVFAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-10(9-12(2,13)11(15)16)14(5-7-17-3)6-8-18-4/h10H,5-9,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid?
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 0.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64709529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).