2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid

C11H14N4O5 — CID 10564810

IUPAC2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H14N4O5/c16-8(14-6-10(18)19)4-13-9(17)5-15-11(20)7-2-1-3-12-7/h1-3,12H,4-6H2,(H,13,17)(H,14,16)(H,15,20)(H,18,19)
InChIKeyVPOYWNRIZCDAJS-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.94
Rot. Bonds7

About 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 10564810) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid
PubChem CID10564810
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H14N4O5/c16-8(14-6-10(18)19)4-13-9(17)5-15-11(20)7-2-1-3-12-7/h1-3,12H,4-6H2,(H,13,17)(H,14,16)(H,15,20)(H,18,19)
InChIKeyVPOYWNRIZCDAJS-UHFFFAOYSA-N
XLogP-1.94
TPSA140.39 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 66569055
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
CID 63931399
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
N-but-2-ynyl-1H-pyrrole-2-carboxamide;ethane
CID 143657649
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
2-[[2-[[2-[(3,5-dinitrobenzoyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 44585321

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid (CID 10564810) is 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CNC(=O)c1ccc[nH]1.
What is the InChIKey of 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is VPOYWNRIZCDAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-8(14-6-10(18)19)4-13-9(17)5-15-11(20)7-2-1-3-12-7/h1-3,12H,4-6H2,(H,13,17)(H,14,16)(H,15,20)(H,18,19).
What are the key properties of 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of -1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 10564810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).