2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid

C14H18N2O5 — CID 107433913

IUPAC2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
SMILESCCC(Oc1ccccc1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-11(21-10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyIGDZMEDOKUYXTH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.24
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid (PubChem CID 107433913) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
PubChem CID107433913
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
SMILESCCC(Oc1ccccc1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-11(21-10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyIGDZMEDOKUYXTH-UHFFFAOYSA-N
XLogP0.24
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
CID 62332724
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
decanedioic acid;2-phenoxybutanoic acid
CID 69302201
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
CID 107434577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid (CID 107433913) is 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid is CCC(Oc1ccccc1)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid?
The InChIKey is IGDZMEDOKUYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-11(21-10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid is sourced from PubChem (CID 107433913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).