2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid

C11H14N2O4 — CID 71422873

IUPAC2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
SMILESNC(=O)CNCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c12-10(14)6-13-5-8-1-3-9(4-2-8)17-7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyRBWUCMNPNKLSDA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.28
Rot. Bonds7

About 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid

2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid (PubChem CID 71422873) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
PubChem CID71422873
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
SMILESNC(=O)CNCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c12-10(14)6-13-5-8-1-3-9(4-2-8)17-7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyRBWUCMNPNKLSDA-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[[3-(diethylamino)propylamino]methyl]phenoxy]acetic acid
CID 17215297
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid (CID 71422873) is 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid is NC(=O)CNCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is RBWUCMNPNKLSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(14)6-13-5-8-1-3-9(4-2-8)17-7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid?
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 238.24 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 71422873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).