2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid

C9H17NO4 — CID 87737931

IUPAC2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid
SMILESCCC(=O)N(CC(=O)O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-5-7(11)10(6-8(12)13)14-9(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKeyRCSPMWGHRCCBCK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid

2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid (PubChem CID 87737931) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid
PubChem CID87737931
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid
SMILESCCC(=O)N(CC(=O)O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-5-7(11)10(6-8(12)13)14-9(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKeyRCSPMWGHRCCBCK-UHFFFAOYSA-N
XLogP1.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-[carbamoyl(methoxy)amino]acetic acid
CID 55288680
2-[(2-aminoacetyl)-dodecoxyamino]acetic acid
CID 87759441
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
CID 114989189
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
2-dodecylsulfanyl-2-octadecylsulfanylpropanoic acid;propanoic acid
CID 87127660
2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
CID 79265770
[4-amino-7-[carboxy-[(2-methylpropan-2-yl)oxy]amino]-4-[3-[carboxy-[(2-methylpropan-2-yl)oxy]amino]propyl]heptyl]-[(2-methylpropan-2-yl)oxy]carbamic acid
CID 91503387
2-[bis(2-aminoacetyl)amino]acetic acid
CID 23617061
N-methoxy-N-methylpropanamide
CID 11344007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid (CID 87737931) is 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid is CCC(=O)N(CC(=O)O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid?
The InChIKey is RCSPMWGHRCCBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5-7(11)10(6-8(12)13)14-9(2,3)4/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid?
2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid has a molecular weight of 203.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid is sourced from PubChem (CID 87737931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).