2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid

C10H21NO3 — CID 63066872

IUPAC2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
SMILESCCOC(CN(CC)C(C)C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-5-11(8(3)4)7-9(10(12)13)14-6-2/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPOBGHNJFSPWAIB-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds7

About 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid

2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid (PubChem CID 63066872) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
PubChem CID63066872
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
SMILESCCOC(CN(CC)C(C)C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-5-11(8(3)4)7-9(10(12)13)14-6-2/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPOBGHNJFSPWAIB-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
CID 150761087
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
(2R)-2-ethoxybutanedioic acid
CID 101245963
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
CID 63067910
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid (CID 63066872) is 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid is CCOC(CN(CC)C(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid?
The InChIKey is POBGHNJFSPWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-11(8(3)4)7-9(10(12)13)14-6-2/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid?
2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 63066872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).