2-aminobutanedioic acid;carbamic acid

C5H10N2O6 — CID 87364941

IUPAC2-aminobutanedioic acid;carbamic acid
SMILESNC(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.CH3NO2/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2H,1,5H2,(H,6,7)(H,8,9);2H2,(H,3,4)
InChIKeyDNZKOUNPEYVZDC-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.50
Rot. Bonds3

About 2-aminobutanedioic acid;carbamic acid

2-aminobutanedioic acid;carbamic acid (PubChem CID 87364941) has the molecular formula C5H10N2O6 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2-aminobutanedioic acid;carbamic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;carbamic acid
PubChem CID87364941
Molecular FormulaC5H10N2O6
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name2-aminobutanedioic acid;carbamic acid
SMILESNC(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.CH3NO2/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2H,1,5H2,(H,6,7)(H,8,9);2H2,(H,3,4)
InChIKeyDNZKOUNPEYVZDC-UHFFFAOYSA-N
XLogP-1.50
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561
CID 172728144
CID 172728144

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;carbamic acid?
The IUPAC name of 2-aminobutanedioic acid;carbamic acid (CID 87364941) is 2-aminobutanedioic acid;carbamic acid.
What is the SMILES notation for 2-aminobutanedioic acid;carbamic acid?
The canonical SMILES for 2-aminobutanedioic acid;carbamic acid is NC(=O)O.NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;carbamic acid?
The InChIKey is DNZKOUNPEYVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.CH3NO2/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2H,1,5H2,(H,6,7)(H,8,9);2H2,(H,3,4).
What are the key properties of 2-aminobutanedioic acid;carbamic acid?
2-aminobutanedioic acid;carbamic acid has a molecular weight of 194.14 g/mol, XLogP of -1.50, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;carbamic acid is sourced from PubChem (CID 87364941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).