2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid

C11H17N3O5 — CID 119195503

IUPAC2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid
SMILESCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H17N3O5/c1-7(15)12-4-9(16)13-5-10(17)14(6-11(18)19)8-2-3-8/h8H,2-6H2,1H3,(H,12,15)(H,13,16)(H,18,19)
InChIKeyUUZRMUHTUOMVIG-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.69
Rot. Bonds7

About 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid

2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid (PubChem CID 119195503) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid
PubChem CID119195503
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid
SMILESCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H17N3O5/c1-7(15)12-4-9(16)13-5-10(17)14(6-11(18)19)8-2-3-8/h8H,2-6H2,1H3,(H,12,15)(H,13,16)(H,18,19)
InChIKeyUUZRMUHTUOMVIG-UHFFFAOYSA-N
XLogP-1.69
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 601
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CID 96796
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CID 5496883
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid (CID 119195503) is 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid is CC(=O)NCC(=O)NCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid?
The InChIKey is UUZRMUHTUOMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-7(15)12-4-9(16)13-5-10(17)14(6-11(18)19)8-2-3-8/h8H,2-6H2,1H3,(H,12,15)(H,13,16)(H,18,19).
What are the key properties of 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid?
2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).