2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid

C16H22N2O5 — CID 119224874

IUPAC2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
SMILESCC(C)CCC(=O)NCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-11(2)6-7-14(19)17-9-15(20)18-12-4-3-5-13(8-12)23-10-16(21)22/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeySCDCJJVDQDICIN-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.64
Rot. Bonds9

About 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid

2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid (PubChem CID 119224874) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
PubChem CID119224874
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
SMILESCC(C)CCC(=O)NCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-11(2)6-7-14(19)17-9-15(20)18-12-4-3-5-13(8-12)23-10-16(21)22/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeySCDCJJVDQDICIN-UHFFFAOYSA-N
XLogP1.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid (CID 119224874) is 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid is CC(C)CCC(=O)NCC(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid?
The InChIKey is SCDCJJVDQDICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11(2)6-7-14(19)17-9-15(20)18-12-4-3-5-13(8-12)23-10-16(21)22/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid?
2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119224874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).