2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid

C16H19N3O7 — CID 67760533

IUPAC2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid
SMILESC[C@@H](NC(=O)CNC(=O)COC(=O)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C16H19N3O7/c1-10(15(24)18-8-14(22)23)19-12(20)7-17-13(21)9-26-16(25)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,21)(H,18,24)(H,19,20)(H,22,23)/t10-/m1/s1
InChIKeyRCCHSGYYIJTOLW-SNVBAGLBSA-N
MW365.34 g/mol
LogP-1.33
Rot. Bonds9

About 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid

2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid (PubChem CID 67760533) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid
PubChem CID67760533
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid
SMILESC[C@@H](NC(=O)CNC(=O)COC(=O)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C16H19N3O7/c1-10(15(24)18-8-14(22)23)19-12(20)7-17-13(21)9-26-16(25)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,21)(H,18,24)(H,19,20)(H,22,23)/t10-/m1/s1
InChIKeyRCCHSGYYIJTOLW-SNVBAGLBSA-N
XLogP-1.33
TPSA150.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid with MolForge

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Related Compounds

[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43388110
2-[2-(benzoyloxymethoxycarbonylsulfanyl)propanoylamino]acetic acid
CID 129096946
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198588
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 42976669
2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
CID 101067582
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(trifluoromethyl)benzoate
CID 9014607
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
CID 9228838
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid (CID 67760533) is 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid is C[C@@H](NC(=O)CNC(=O)COC(=O)c1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid?
The InChIKey is RCCHSGYYIJTOLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O7/c1-10(15(24)18-8-14(22)23)19-12(20)7-17-13(21)9-26-16(25)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,21)(H,18,24)(H,19,20)(H,22,23)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid?
2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid has a molecular weight of 365.34 g/mol, XLogP of -1.33, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[[2-[(2-benzoyloxyacetyl)amino]acetyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 67760533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).