methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate

C15H22N2O4 — CID 119713766

IUPACmethyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
SMILESCCC(C)C(N)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-6-5-7-12(8-11)21-9-13(18)20-3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyUTVUHAAFMFRWSG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate

methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate (PubChem CID 119713766) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
PubChem CID119713766
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
SMILESCCC(C)C(N)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-6-5-7-12(8-11)21-9-13(18)20-3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyUTVUHAAFMFRWSG-UHFFFAOYSA-N
XLogP1.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
CID 60750976
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
CID 119763991
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate (CID 119713766) is methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate is CCC(C)C(N)C(=O)Nc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The InChIKey is UTVUHAAFMFRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-6-5-7-12(8-11)21-9-13(18)20-3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate has a molecular weight of 294.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate is sourced from PubChem (CID 119713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).