2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid

C11H24N2O3 — CID 103389621

IUPAC2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
SMILESCOCC(CCCN)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3/c1-8(2)10(11(14)15)13-9(7-16-3)5-4-6-12/h8-10,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyPAWIDIOYLHNSLS-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.44
Rot. Bonds9

About 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid

2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid (PubChem CID 103389621) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
PubChem CID103389621
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
SMILESCOCC(CCCN)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3/c1-8(2)10(11(14)15)13-9(7-16-3)5-4-6-12/h8-10,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyPAWIDIOYLHNSLS-UHFFFAOYSA-N
XLogP0.44
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081
5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
CID 103388167
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoic acid
CID 43468233

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid (CID 103389621) is 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid is COCC(CCCN)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is PAWIDIOYLHNSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(2)10(11(14)15)13-9(7-16-3)5-4-6-12/h8-10,13H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid?
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 103389621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).