2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid

C13H18N2O3 — CID 43465997

IUPAC2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
SMILESCC(CNC(=O)CNCC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(11-5-3-2-4-6-11)7-15-12(16)8-14-9-13(17)18/h2-6,10,14H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDEVCARSKDFXQTR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.58
Rot. Bonds7

About 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid

2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid (PubChem CID 43465997) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
PubChem CID43465997
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
SMILESCC(CNC(=O)CNCC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(11-5-3-2-4-6-11)7-15-12(16)8-14-9-13(17)18/h2-6,10,14H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDEVCARSKDFXQTR-UHFFFAOYSA-N
XLogP0.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid (CID 43465997) is 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid is CC(CNC(=O)CNCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The InChIKey is DEVCARSKDFXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(11-5-3-2-4-6-11)7-15-12(16)8-14-9-13(17)18/h2-6,10,14H,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43465997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).