2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid

C14H18N2O5 — CID 61499192

IUPAC2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
SMILESCCOC(=O)C(C)NC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-3-21-13(19)10(2)15-14(20)16(9-12(17)18)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyBDSATJBOLKHDSH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.24
Rot. Bonds6

About 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid

2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid (PubChem CID 61499192) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
PubChem CID61499192
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
SMILESCCOC(=O)C(C)NC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-3-21-13(19)10(2)15-14(20)16(9-12(17)18)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyBDSATJBOLKHDSH-UHFFFAOYSA-N
XLogP1.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258
2-[N-(1-methylsulfonylpropan-2-ylcarbamoyl)anilino]acetic acid
CID 64642672
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
2-[3-chloro-N-(3-methylpentan-2-ylcarbamoyl)anilino]acetic acid
CID 61465565
2-[3-chloro-N-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]anilino]acetic acid
CID 61465880
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid (CID 61499192) is 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid is CCOC(=O)C(C)NC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid?
The InChIKey is BDSATJBOLKHDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-21-13(19)10(2)15-14(20)16(9-12(17)18)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,20)(H,17,18).
What are the key properties of 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid?
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61499192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).