2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid

C5H8N2O2 — CID 147859290

IUPAC2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESNC1CC=C(C(=O)O)N1
InChIInChI=1S/C5H8N2O2/c6-4-2-1-3(7-4)5(8)9/h1,4,7H,2,6H2,(H,8,9)
InChIKeyHWIXVISGJLQCDW-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.77
Rot. Bonds1

About 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid

2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid (PubChem CID 147859290) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid
PubChem CID147859290
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESNC1CC=C(C(=O)O)N1
InChIInChI=1S/C5H8N2O2/c6-4-2-1-3(7-4)5(8)9/h1,4,7H,2,6H2,(H,8,9)
InChIKeyHWIXVISGJLQCDW-UHFFFAOYSA-N
XLogP-0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5,6-Tetrahydro-2-pyridinecarboxylic acid
CID 127439
4,5-Dihydro-1H-pyrrole-2-carboxylic acid
CID 19068022
(Z)-2-(ethylamino)pent-2-enoic acid
CID 17968388
3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid
CID 59751678
Sodium pyrroline-2-carboxylate
CID 67364228
3-Oxo-1,2-dihydropyrrole-5-carboxylic acid
CID 68460390
2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid
CID 68475854
(E)-2-(1-aminoethylamino)hex-2-enoic acid
CID 87396614
(Z)-2-(ethylamino)hex-2-enoic acid
CID 87878598
(Z)-2-amino-5-(carbamoylamino)pent-2-enoic acid
CID 88216125
3-cyano-2,3-dihydro-1H-pyrrole-5-carboxylic acid
CID 89250955
(2S)-2-amino-4-methyl-1,2,3,4-tetrahydropyrimidine-6-carboxylic acid
CID 124095890

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The IUPAC name of 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid (CID 147859290) is 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The canonical SMILES for 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid is NC1CC=C(C(=O)O)N1.
What is the InChIKey of 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The InChIKey is HWIXVISGJLQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-4-2-1-3(7-4)5(8)9/h1,4,7H,2,6H2,(H,8,9).
What are the key properties of 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1H-pyrrole-5-carboxylic acid is sourced from PubChem (CID 147859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).