2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid

C11H20N4O7 — CID 18743107

IUPAC2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
SMILESCC(NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N4O7/c1-5(9(20)13-2-8(18)19)14-11(22)7(4-17)15-10(21)6(12)3-16/h5-7,16-17H,2-4,12H2,1H3,(H,13,20)(H,14,22)(H,15,21)(H,18,19)
InChIKeyDYNGSOATNXAJJH-UHFFFAOYSA-N
MW320.30 g/mol
LogP-4.51
Rot. Bonds9

About 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid

2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid (PubChem CID 18743107) has the molecular formula C11H20N4O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
PubChem CID18743107
Molecular FormulaC11H20N4O7
Molecular Weight320.30 g/mol
Exact Mass320.13
IUPAC Name2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
SMILESCC(NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N4O7/c1-5(9(20)13-2-8(18)19)14-11(22)7(4-17)15-10(21)6(12)3-16/h5-7,16-17H,2-4,12H2,1H3,(H,13,20)(H,14,22)(H,15,21)(H,18,19)
InChIKeyDYNGSOATNXAJJH-UHFFFAOYSA-N
XLogP-4.51
TPSA191.08 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.30
LogP ≤ 5-4.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid with MolForge

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Related Compounds

2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 22658068
2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]acetic acid
CID 18743507
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 18745004
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetic acid
CID 18745403
2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 145457797
2-[[4-amino-2-[2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 176992724
4-amino-5-[[4-carboxy-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264453
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetic acid
CID 18500909
2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]acetic acid
CID 18254493
2-[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]propanoylamino]acetic acid
CID 22703250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid (CID 18743107) is 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid is CC(NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid?
The InChIKey is DYNGSOATNXAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O7/c1-5(9(20)13-2-8(18)19)14-11(22)7(4-17)15-10(21)6(12)3-16/h5-7,16-17H,2-4,12H2,1H3,(H,13,20)(H,14,22)(H,15,21)(H,18,19).
What are the key properties of 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid?
2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid has a molecular weight of 320.30 g/mol, XLogP of -4.51, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid is sourced from PubChem (CID 18743107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).