2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid

C10H16N2O3 — CID 70640399

IUPAC2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid
SMILESCC(=O)C(NCCC(N)C(=O)O)=C1CC1
InChIInChI=1S/C10H16N2O3/c1-6(13)9(7-2-3-7)12-5-4-8(11)10(14)15/h8,12H,2-5,11H2,1H3,(H,14,15)
InChIKeyPFKOZNVOKMORAW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.01
Rot. Bonds6

About 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid

2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid (PubChem CID 70640399) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid
PubChem CID70640399
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid
SMILESCC(=O)C(NCCC(N)C(=O)O)=C1CC1
InChIInChI=1S/C10H16N2O3/c1-6(13)9(7-2-3-7)12-5-4-8(11)10(14)15/h8,12H,2-5,11H2,1H3,(H,14,15)
InChIKeyPFKOZNVOKMORAW-UHFFFAOYSA-N
XLogP0.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylcarbamoylamino)butanoic acid
CID 67154377
(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
CID 88580674
2-amino-4-[[(E)-but-2-enoyl]amino]butanoic acid
CID 129218580
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
2-amino-4-(azetidine-1-carbonylamino)butanoic acid
CID 70945804
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
(2S)-2-amino-4-[[(3R)-4-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 177217802
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
CID 123966527

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid (CID 70640399) is 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid is CC(=O)C(NCCC(N)C(=O)O)=C1CC1.
What is the InChIKey of 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid?
The InChIKey is PFKOZNVOKMORAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(13)9(7-2-3-7)12-5-4-8(11)10(14)15/h8,12H,2-5,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid?
2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-cyclopropylidene-2-oxopropyl)amino]butanoic acid is sourced from PubChem (CID 70640399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).