2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid

C9H17NO4 — CID 62590585

IUPAC2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
SMILESCOCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)10(6-9(12)13)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyZRPOLYIPXNGSCA-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid

2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid (PubChem CID 62590585) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
PubChem CID62590585
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
SMILESCOCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)10(6-9(12)13)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyZRPOLYIPXNGSCA-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[[2-(2-methoxyethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 60831871
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-[3-(2,6-dimethylphenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831350
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
CID 107433829
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid (CID 62590585) is 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid is COCCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid?
The InChIKey is ZRPOLYIPXNGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(2)10(6-9(12)13)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid?
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 62590585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).