2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid

C8H10N2O4 — CID 84748073

IUPAC2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)CNC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H10N2O4/c11-6(12)4-10-7(8(13)14)5-2-1-3-9-5/h1-3,7,9-10H,4H2,(H,11,12)(H,13,14)
InChIKeyUECRIQVQTRRSRO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.19
Rot. Bonds5

About 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid

2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 84748073) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID84748073
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)CNC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H10N2O4/c11-6(12)4-10-7(8(13)14)5-2-1-3-9-5/h1-3,7,9-10H,4H2,(H,11,12)(H,13,14)
InChIKeyUECRIQVQTRRSRO-UHFFFAOYSA-N
XLogP-0.19
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[carboxy(1H-pyrrol-2-yl)methyl]amino]propanoic acid
CID 84748110
2-[[cyano(1H-pyrrol-2-yl)methyl]amino]acetic acid
CID 84816486
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid
CID 62339073
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 54513185
3-amino-4-(methylamino)-4-(1H-pyrrol-2-yl)butanoic acid
CID 116957911
2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748788
2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746691
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
2-pyrrol-1-yl-2-(1H-pyrrol-2-yl)acetic acid
CID 121210312
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
1,1-bis(1H-pyrrol-2-yl)butan-2-one
CID 56629782

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid (CID 84748073) is 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid is O=C(O)CNC(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is UECRIQVQTRRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6(12)4-10-7(8(13)14)5-2-1-3-9-5/h1-3,7,9-10H,4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 84748073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).