2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid

C9H17NO3 — CID 55027250

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-2-10(7-9(11)12)6-8-4-3-5-13-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRUOFBBXYDDTCCK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds5

About 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid

2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid (PubChem CID 55027250) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid
PubChem CID55027250
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-2-10(7-9(11)12)6-8-4-3-5-13-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRUOFBBXYDDTCCK-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(((Tert-butoxy)carbonyl)((oxolan-2-yl)methyl)amino)acetic acid
CID 54595685
Tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 64689351
2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-[(5,5-Dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 116522753
Methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
CID 51086819
tert-butyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetate
CID 11171932
2-[Carboxymethyl(5-methoxypentyl)amino]acetic acid
CID 20728386
Ethyl 2-[(oxolan-2-ylmethyl)amino]acetate
CID 21331480
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
2-{[(Furan-2-yl)methyl](methyl)amino}acetic acid
CID 43442255

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid (CID 55027250) is 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid is CCN(CC(=O)O)CC1CCCO1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid?
The InChIKey is RUOFBBXYDDTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-10(7-9(11)12)6-8-4-3-5-13-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid?
2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 55027250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).