3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid

C11H22N2O4 — CID 81073119

IUPAC3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C(N)CCOC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-8(6-10(14)15)7-13-11(16)9(12)4-5-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWLTXVSOILPWNIU-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds9

About 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid

3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid (PubChem CID 81073119) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
PubChem CID81073119
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C(N)CCOC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-8(6-10(14)15)7-13-11(16)9(12)4-5-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWLTXVSOILPWNIU-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]pentanoic acid
CID 81072542
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
CID 112735393
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid (CID 81073119) is 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)C(N)CCOC)CC(=O)O.
What is the InChIKey of 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid?
The InChIKey is WLTXVSOILPWNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-8(6-10(14)15)7-13-11(16)9(12)4-5-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid?
3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81073119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).