carbamic acid;3-cyanopropanoic acid

C5H8N2O4 — CID 175385883

IUPACcarbamic acid;3-cyanopropanoic acid
SMILESN#CCCC(=O)O.NC(=O)O
InChIInChI=1S/C4H5NO2.CH3NO2/c5-3-1-2-4(6)7;2-1(3)4/h1-2H2,(H,6,7);2H2,(H,3,4)
InChIKeyDGBKVERIKHVZBS-UHFFFAOYSA-N
MW160.13 g/mol
LogP-0.00
Rot. Bonds2

About carbamic acid;3-cyanopropanoic acid

carbamic acid;3-cyanopropanoic acid (PubChem CID 175385883) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is carbamic acid;3-cyanopropanoic acid.

Molecular Properties

Compound Namecarbamic acid;3-cyanopropanoic acid
PubChem CID175385883
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Namecarbamic acid;3-cyanopropanoic acid
SMILESN#CCCC(=O)O.NC(=O)O
InChIInChI=1S/C4H5NO2.CH3NO2/c5-3-1-2-4(6)7;2-1(3)4/h1-2H2,(H,6,7);2H2,(H,3,4)
InChIKeyDGBKVERIKHVZBS-UHFFFAOYSA-N
XLogP-0.00
TPSA124.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141112137
bis(butanedioic acid);hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-cyanopropanoic acid?
The IUPAC name of carbamic acid;3-cyanopropanoic acid (CID 175385883) is carbamic acid;3-cyanopropanoic acid.
What is the SMILES notation for carbamic acid;3-cyanopropanoic acid?
The canonical SMILES for carbamic acid;3-cyanopropanoic acid is N#CCCC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;3-cyanopropanoic acid?
The InChIKey is DGBKVERIKHVZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.CH3NO2/c5-3-1-2-4(6)7;2-1(3)4/h1-2H2,(H,6,7);2H2,(H,3,4).
What are the key properties of carbamic acid;3-cyanopropanoic acid?
carbamic acid;3-cyanopropanoic acid has a molecular weight of 160.13 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-cyanopropanoic acid is sourced from PubChem (CID 175385883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).