2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid

C14H20N2O3 — CID 61012431

IUPAC2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(10-14(18)19)9-13(17)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRIENHOKIFMUDDN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds7

About 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid

2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid (PubChem CID 61012431) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
PubChem CID61012431
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(10-14(18)19)9-13(17)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRIENHOKIFMUDDN-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
2-[bis[2-(benzhydrylamino)-2-oxoethyl]amino]acetic acid
CID 121447722
2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906831
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17498277

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid (CID 61012431) is 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid is CCN(CC(=O)O)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid?
The InChIKey is RIENHOKIFMUDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(10-14(18)19)9-13(17)15-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid?
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 61012431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).