2-(carboxymethylamino)acetic acid;pyrrol-1-amine

C8H13N3O4 — CID 66701684

IUPAC2-(carboxymethylamino)acetic acid;pyrrol-1-amine
SMILESNn1cccc1.O=C(O)CNCC(=O)O
InChIInChI=1S/C4H6N2.C4H7NO4/c5-6-3-1-2-4-6;6-3(7)1-5-2-4(8)9/h1-4H,5H2;5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyFNHBQZGVQOSJCK-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.05
Rot. Bonds4

About 2-(carboxymethylamino)acetic acid;pyrrol-1-amine

2-(carboxymethylamino)acetic acid;pyrrol-1-amine (PubChem CID 66701684) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetic acid;pyrrol-1-amine.

Molecular Properties

Compound Name2-(carboxymethylamino)acetic acid;pyrrol-1-amine
PubChem CID66701684
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-(carboxymethylamino)acetic acid;pyrrol-1-amine
SMILESNn1cccc1.O=C(O)CNCC(=O)O
InChIInChI=1S/C4H6N2.C4H7NO4/c5-6-3-1-2-4-6;6-3(7)1-5-2-4(8)9/h1-4H,5H2;5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyFNHBQZGVQOSJCK-UHFFFAOYSA-N
XLogP-1.05
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetic acid;pyrrol-1-amine?
The IUPAC name of 2-(carboxymethylamino)acetic acid;pyrrol-1-amine (CID 66701684) is 2-(carboxymethylamino)acetic acid;pyrrol-1-amine.
What is the SMILES notation for 2-(carboxymethylamino)acetic acid;pyrrol-1-amine?
The canonical SMILES for 2-(carboxymethylamino)acetic acid;pyrrol-1-amine is Nn1cccc1.O=C(O)CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetic acid;pyrrol-1-amine?
The InChIKey is FNHBQZGVQOSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H7NO4/c5-6-3-1-2-4-6;6-3(7)1-5-2-4(8)9/h1-4H,5H2;5H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-(carboxymethylamino)acetic acid;pyrrol-1-amine?
2-(carboxymethylamino)acetic acid;pyrrol-1-amine has a molecular weight of 215.21 g/mol, XLogP of -1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetic acid;pyrrol-1-amine is sourced from PubChem (CID 66701684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).