5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid

C9H14N2O5 — CID 175959163

IUPAC5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid
SMILESNC1=NC(=O)CC1.O=C(O)CCCC(=O)O
InChIInChI=1S/C5H8O4.C4H6N2O/c6-4(7)2-1-3-5(8)9;5-3-1-2-4(7)6-3/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H2,5,6,7)
InChIKeyOIBYHBPGZQDPRF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.01
Rot. Bonds4

About 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid

5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid (PubChem CID 175959163) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid.

Molecular Properties

Compound Name5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid
PubChem CID175959163
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid
SMILESNC1=NC(=O)CC1.O=C(O)CCCC(=O)O
InChIInChI=1S/C5H8O4.C4H6N2O/c6-4(7)2-1-3-5(8)9;5-3-1-2-4(7)6-3/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H2,5,6,7)
InChIKeyOIBYHBPGZQDPRF-UHFFFAOYSA-N
XLogP-0.01
TPSA130.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid?
The IUPAC name of 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid (CID 175959163) is 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid.
What is the SMILES notation for 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid?
The canonical SMILES for 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid is NC1=NC(=O)CC1.O=C(O)CCCC(=O)O.
What is the InChIKey of 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid?
The InChIKey is OIBYHBPGZQDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.C4H6N2O/c6-4(7)2-1-3-5(8)9;5-3-1-2-4(7)6-3/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H2,5,6,7).
What are the key properties of 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid?
5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid has a molecular weight of 230.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid is sourced from PubChem (CID 175959163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).