methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate

C15H22N2O4 — CID 43700551

IUPACmethyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
SMILESCCC(C)C(N)C(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-5-7-12(8-6-11)21-9-13(18)20-3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyUAQSEKSQPVJLQJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate

methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate (PubChem CID 43700551) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
PubChem CID43700551
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
SMILESCCC(C)C(N)C(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-5-7-12(8-6-11)21-9-13(18)20-3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyUAQSEKSQPVJLQJ-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

methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate (CID 43700551) is methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate is CCC(C)C(N)C(=O)Nc1ccc(OCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
The InChIKey is UAQSEKSQPVJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-10(2)14(16)15(19)17-11-5-7-12(8-6-11)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-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate?
methyl 2-[4-[(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-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate is sourced from PubChem (CID 43700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).