2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid

C10H20N2O4 — CID 64582080

IUPAC2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
SMILESCOCC(C)CNCC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(6-16-3)4-11-5-9(10(14)15)12-8(2)13/h7,9,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyPAGPQAFQHXZDPT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.55
Rot. Bonds8

About 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid

2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid (PubChem CID 64582080) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
PubChem CID64582080
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
SMILESCOCC(C)CNCC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(6-16-3)4-11-5-9(10(14)15)12-8(2)13/h7,9,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyPAGPQAFQHXZDPT-UHFFFAOYSA-N
XLogP-0.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
CID 66107045
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-acetamido-3-(1-methoxypropan-2-ylsulfinyl)propanoic acid
CID 107768656
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
2-acetamido-3-[3-[methyl(propan-2-yl)amino]propylamino]propanoic acid
CID 106036472
4-[(3-methoxy-2-methylpropyl)amino]-3-methylbut-2-enoic acid
CID 103245604
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
2-[[(3-methoxy-2-methylpropyl)amino]methyl]prop-2-enoic acid
CID 103245619
2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid
CID 64582086

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid (CID 64582080) is 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid is COCC(C)CNCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid?
The InChIKey is PAGPQAFQHXZDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(6-16-3)4-11-5-9(10(14)15)12-8(2)13/h7,9,11H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid?
2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 64582080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).