2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid

C8H15NO4 — CID 91596847

IUPAC2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
SMILESCOC(=O)N(C(C)C)C(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(2)9(8(12)13-4)6(3)7(10)11/h5-6H,1-4H3,(H,10,11)
InChIKeyOASMDOULIFXLME-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.94
Rot. Bonds3

About 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid

2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid (PubChem CID 91596847) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
PubChem CID91596847
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
SMILESCOC(=O)N(C(C)C)C(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(2)9(8(12)13-4)6(3)7(10)11/h5-6H,1-4H3,(H,10,11)
InChIKeyOASMDOULIFXLME-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
(2S)-2-[[(2S)-3-methylbutan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90464738
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
tris(di(propan-2-yl)carbamic acid);titanium
CID 11812839
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate
CID 59582321
CID 174010213
CID 174010213
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
2-[methyl(propan-2-yloxycarbonyl)amino]propanoic acid
CID 62627138
2-methoxypropanoic acid;zirconium
CID 174567743
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-methoxypropanoic acid;titanium
CID 175177225

Frequently Asked Questions

What is the IUPAC name of 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid (CID 91596847) is 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid is COC(=O)N(C(C)C)C(C)C(=O)O.
What is the InChIKey of 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid?
The InChIKey is OASMDOULIFXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)9(8(12)13-4)6(3)7(10)11/h5-6H,1-4H3,(H,10,11).
What are the key properties of 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid?
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 91596847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).