2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide

C14H20N4O4 — CID 23422440

IUPAC2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)CN
InChIInChI=1S/C14H20N4O4/c1-16-14(22)11(6-9-2-4-10(19)5-3-9)18-13(21)8-17-12(20)7-15/h2-5,11,19H,6-8,15H2,1H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeyCVWZEFMBJWWRNT-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.76
Rot. Bonds7

About 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 23422440) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID23422440
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)CN
InChIInChI=1S/C14H20N4O4/c1-16-14(22)11(6-9-2-4-10(19)5-3-9)18-13(21)8-17-12(20)7-15/h2-5,11,19H,6-8,15H2,1H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeyCVWZEFMBJWWRNT-UHFFFAOYSA-N
XLogP-1.76
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 22062738
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
(2S)-2-[[2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 175957607
3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 18487595
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoic acid
CID 18491974
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 91758394
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 18492200
2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid;butane;propane
CID 144964446
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
3-[(2-aminoacetyl)amino]-4-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 18486094
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N,4-dimethylpentanamide
CID 102333216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 23422440) is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide is CNC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is CVWZEFMBJWWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-16-14(22)11(6-9-2-4-10(19)5-3-9)18-13(21)8-17-12(20)7-15/h2-5,11,19H,6-8,15H2,1H3,(H,16,22)(H,17,20)(H,18,21).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 308.34 g/mol, XLogP of -1.76, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 23422440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).