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

C13H18N4O4 — CID 4667426

IUPAC2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
SMILESNCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C13H18N4O4/c14-6-11(19)16-7-12(20)17-10(13(15)21)5-8-1-3-9(18)4-2-8/h1-4,10,18H,5-7,14H2,(H2,15,21)(H,16,19)(H,17,20)
InChIKeyCVKKWNVHVHNGQM-UHFFFAOYSA-N
MW294.31 g/mol
LogP-2.02
Rot. Bonds7

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

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 4667426) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
PubChem CID4667426
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
SMILESNCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C13H18N4O4/c14-6-11(19)16-7-12(20)17-10(13(15)21)5-8-1-3-9(18)4-2-8/h1-4,10,18H,5-7,14H2,(H2,15,21)(H,16,19)(H,17,20)
InChIKeyCVKKWNVHVHNGQM-UHFFFAOYSA-N
XLogP-2.02
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 23422440
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 22062738
(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-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18485694
3-[(2-aminoacetyl)amino]-4-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 18486094
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 18492200
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoic acid
CID 18491974
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 170308357

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide (CID 4667426) is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide is NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is CVKKWNVHVHNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-6-11(19)16-7-12(20)17-10(13(15)21)5-8-1-3-9(18)4-2-8/h1-4,10,18H,5-7,14H2,(H2,15,21)(H,16,19)(H,17,20).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide?
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 294.31 g/mol, XLogP of -2.02, 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)propanamide is sourced from PubChem (CID 4667426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).